Responsive image

Common name

4-allylphenol

IUPAC name

4-allylphenol

SMILES

c1(ccc(cc1)O)CC=C

Common name

4-allylphenol

IUPAC name

4-allylphenol

SMILES

c1(ccc(cc1)O)CC=C

INCHI

InChI=1S/C9H10O/c1-2-3-8-4-6-9(10)7-5-8/h2,4-7,10H,1,3H2

FORMULA

C9H10O

Responsive image

Common name

4-allylphenol

IUPAC name

4-allylphenol





Molecular weight

134.175

clogP

2.474

clogS

-2.034

Frequency

0.0003





HBond Acceptor

1

HBond Donor

1

Total Polar
Surface Area

20.23

Number of Rings

1

Rotatable Bond

2

Drug ID Common name Structure CAS Compound class Therapeutic area
FDBD01669 Eugenol Responsive image Anti-Infective Agents; Solvents;
1 , 1
FRAGNAME PDBID SIMILIRITY XSCORE SMILE HAC
4mga_ligand_2_2.mol2 4mga 0.806452 -7.76 CC(c1ccc(cc1)O)(C)C 11
2zas_ligand_1_0.mol2 2zas 0.806452 -7.74 c1(ccc(cc1)C(C)C)O 10
2e2r_ligand_1_0.mol2 2e2r 0.806452 -7.73 C(C)(C)c1ccc(cc1)O 10
2p7g_ligand_1_1.mol2 2p7g 0.806452 -7.72 C(C)(C)c1ccc(cc1)O 10
2e2r_ligand_1_1.mol2 2e2r 0.806452 -7.62 c1(ccc(cc1)O)C(C)C 10
2ra6_ligand.mol2 2ra6 0.806452 -7.57 CCc1ccc(cc1)O 10
1ikt_ligand_3_11.mol2 1ikt 0.806452 -7.55 Oc1ccc(cc1)C(C)(C)C 11
4osf_ligand_2_0.mol2 4osf 0.806452 -7.44 c1(ccc(cc1)CC)O 9
4mga_ligand_1_2.mol2 4mga 0.806452 -7.37 c1(ccc(cc1)O)C(C)C 10
133 , 14