Responsive image

Common name

(1R)-1-phenylbutan-1-ol

IUPAC name

(1R)-1-phenylbutan-1-ol

SMILES

c1(ccccc1)C(O)CCC

Common name

(1R)-1-phenylbutan-1-ol

IUPAC name

(1R)-1-phenylbutan-1-ol

SMILES

c1(ccccc1)C(O)CCC

INCHI

InChI=1S/C10H14O/c1-2-6-10(11)9-7-4-3-5-8-9/h3-5,7-8,10-11H,2,6H2,1H3/t10-/m1/s1

FORMULA

C10H14O

Responsive image

Common name

(1R)-1-phenylbutan-1-ol

IUPAC name

(1R)-1-phenylbutan-1-ol





Molecular weight

150.218

clogP

2.523

clogS

-2.292

Frequency

0.0007





HBond Acceptor

1

HBond Donor

1

Total Polar
Surface Area

20.23

Number of Rings

1

Rotatable Bond

3

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD00195 Ibutilide Responsive image Anti-Arrhythmia Agents; Cardiovascular System; Antiarrhythmics, Class III; Antiarrhythmics, Class I and Iii; Cardiac Therapy; Antiarrythmics, Class I and Iii; Indicated for the rapid conversion of atrial fibrillation or atrial flutter of recent onset to sinus rhythm.
FDBD01075 Diphenidol Responsive image Antiemetics; For use in the prevention and symptomatic treatment of peripheral (labyrinthine) vertigo and associated nausea and vomiting that occur in such conditions as Meniere's disease and surgery of the middle and inner ear. Also for the control of nausea and vomiting associated with postoperative states, malignant neoplasms, labyrinthine disturbances, antineoplastic agent therapy, radiation sickness, and infectious diseases.
2 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4ohk_ligand_2_7.mol2 4ohk 0.875 -6.96 CC[C@@H](O)c1ccccc1 10
2viy_ligand_4_506.mol2 2viy 0.848485 -7.52 C[C@@H](O)CCc1ccccc1 11
2b8l_ligand_4_128.mol2 2b8l 0.848485 -7.51 C[C@@H](O)CCc1ccccc1 11
2xfi_ligand_4_205.mol2 2xfi 0.848485 -7.49 c1(ccccc1)CC[C@@H](C)O 11
2b8v_ligand_4_91.mol2 2b8v 0.848485 -7.46 c1ccccc1CC[C@H](O)C 11
4oc6_ligand_4_1380.mol2 4oc6 0.848485 -7.14 c1(ccccc1)CC[C@@H](O)C 11
1lee_ligand_4_594.mol2 1lee 0.848485 -7.13 C([C@H](C)O)Cc1ccccc1 11
213 , 22