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

C20H18O2 — CID 141315121

IUPAC3-(2,2-diphenylethyl)benzene-1,2-diol
SMILESOc1cccc(CC(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C20H18O2/c21-19-13-7-12-17(20(19)22)14-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,18,21-22H,14H2
InChIKeyPBTBPWAIMOMYCL-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.47
Rot. Bonds4

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

3-(2,2-diphenylethyl)benzene-1,2-diol (PubChem CID 141315121) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 3-(2,2-diphenylethyl)benzene-1,2-diol.

Molecular Properties

Compound Name3-(2,2-diphenylethyl)benzene-1,2-diol
PubChem CID141315121
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name3-(2,2-diphenylethyl)benzene-1,2-diol
SMILESOc1cccc(CC(c2ccccc2)c2ccccc2)c1O
InChIInChI=1S/C20H18O2/c21-19-13-7-12-17(20(19)22)14-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,18,21-22H,14H2
InChIKeyPBTBPWAIMOMYCL-UHFFFAOYSA-N
XLogP4.47
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.47
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'}

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Related Compounds

3-(2,2-dihydroxyethyl)benzene-1,2-diol
CID 70364634
3-(1-phenylpropyl)benzene-1,2-diol
CID 139729676
3-(1,3-diphenylpropyl)benzene-1,2-diol
CID 54385073
2-[3-(2-hydroxyphenyl)-1,3-diphenylpropyl]phenol
CID 151789465
1-(2,2-diphenylethyl)-2,3-diphenylbenzene
CID 173154166
3-(3-phenylprop-2-enyl)benzene-1,2-diol
CID 54349288
2-amino-3-(2,3-dihydroxyphenyl)propanoic acid;phosphoric acid
CID 174776848
3-[[(2-hydroxyphenyl)methylamino]methyl]benzene-1,2-diol
CID 114331529
2-(hydroxymethyl)-3-(2-hydroxy-2-phenylethyl)phenol
CID 12747140
3-[(2-phenylhydrazinyl)methyl]benzene-1,2-diol
CID 169384433
2-(8,8-diphenyloctyl)phenol
CID 66867292
2-(7,7-diphenylheptyl)phenol
CID 66866981

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-diphenylethyl)benzene-1,2-diol?
The IUPAC name of 3-(2,2-diphenylethyl)benzene-1,2-diol (CID 141315121) is 3-(2,2-diphenylethyl)benzene-1,2-diol.
What is the SMILES notation for 3-(2,2-diphenylethyl)benzene-1,2-diol?
The canonical SMILES for 3-(2,2-diphenylethyl)benzene-1,2-diol is Oc1cccc(CC(c2ccccc2)c2ccccc2)c1O.
What is the InChIKey of 3-(2,2-diphenylethyl)benzene-1,2-diol?
The InChIKey is PBTBPWAIMOMYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c21-19-13-7-12-17(20(19)22)14-18(15-8-3-1-4-9-15)16-10-5-2-6-11-16/h1-13,18,21-22H,14H2.
What are the key properties of 3-(2,2-diphenylethyl)benzene-1,2-diol?
3-(2,2-diphenylethyl)benzene-1,2-diol has a molecular weight of 290.36 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-diphenylethyl)benzene-1,2-diol is sourced from PubChem (CID 141315121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).