3-(1,3-diphenylpropyl)benzene-1,2-diol

C21H20O2 — CID 54385073

IUPAC3-(1,3-diphenylpropyl)benzene-1,2-diol
SMILESOc1cccc(C(CCc2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C21H20O2/c22-20-13-7-12-19(21(20)23)18(17-10-5-2-6-11-17)15-14-16-8-3-1-4-9-16/h1-13,18,22-23H,14-15H2
InChIKeyVCQOCEJPUYMPBX-UHFFFAOYSA-N
MW304.39 g/mol
LogP4.86
Rot. Bonds5

About 3-(1,3-diphenylpropyl)benzene-1,2-diol

3-(1,3-diphenylpropyl)benzene-1,2-diol (PubChem CID 54385073) has the molecular formula C21H20O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 3-(1,3-diphenylpropyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(1,3-diphenylpropyl)benzene-1,2-diol
PubChem CID54385073
Molecular FormulaC21H20O2
Molecular Weight304.39 g/mol
Exact Mass304.15
IUPAC Name3-(1,3-diphenylpropyl)benzene-1,2-diol
SMILESOc1cccc(C(CCc2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C21H20O2/c22-20-13-7-12-19(21(20)23)18(17-10-5-2-6-11-17)15-14-16-8-3-1-4-9-16/h1-13,18,22-23H,14-15H2
InChIKeyVCQOCEJPUYMPBX-UHFFFAOYSA-N
XLogP4.86
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze 3-(1,3-diphenylpropyl)benzene-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
4-[1-(4-hydroxyphenyl)-3-phenylpropyl]phenol
CID 13030783
3-(2,2-diphenylethyl)benzene-1,2-diol
CID 141315121
(1R)-1,3-diphenylpropan-1-ol
CID 11845542
CID 144815287
CID 144815287
2-[3-(2-hydroxyphenyl)-1,3-diphenylpropyl]phenol
CID 151789465
3-[(1R,2S)-1-amino-2-hydroxy-3-phenylpropyl]benzene-1,2-diol
CID 171261361
2-(1-phenylpentyl)phenol
CID 19601156
3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one
CID 54711496
3-[bis(2-hydroxyphenyl)methyl]benzene-1,2-diol
CID 18764787
3-[2-[2,2-bis(2,3-dihydroxyphenyl)ethoxy]-1-(2,3-dihydroxyphenyl)ethyl]benzene-1,2-diol
CID 150382081
[(3S)-3-(2-hydroxy-3-methylphenyl)-3-phenylpropyl]-methyl-di(propan-2-yl)azanium
CID 20774440

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-diphenylpropyl)benzene-1,2-diol?
The IUPAC name of 3-(1,3-diphenylpropyl)benzene-1,2-diol (CID 54385073) is 3-(1,3-diphenylpropyl)benzene-1,2-diol.
What is the SMILES notation for 3-(1,3-diphenylpropyl)benzene-1,2-diol?
The canonical SMILES for 3-(1,3-diphenylpropyl)benzene-1,2-diol is Oc1cccc(C(CCc2ccccc2)c2ccccc2)c1O.
What is the InChIKey of 3-(1,3-diphenylpropyl)benzene-1,2-diol?
The InChIKey is VCQOCEJPUYMPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O2/c22-20-13-7-12-19(21(20)23)18(17-10-5-2-6-11-17)15-14-16-8-3-1-4-9-16/h1-13,18,22-23H,14-15H2.
What are the key properties of 3-(1,3-diphenylpropyl)benzene-1,2-diol?
3-(1,3-diphenylpropyl)benzene-1,2-diol has a molecular weight of 304.39 g/mol, XLogP of 4.86, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diphenylpropyl)benzene-1,2-diol is sourced from PubChem (CID 54385073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).