3-(1,1-diphenylethyl)-2-hydroxybenzoic acid

C21H18O3 — CID 139751324

IUPAC3-(1,1-diphenylethyl)-2-hydroxybenzoic acid
SMILESCC(c1ccccc1)(c1ccccc1)c1cccc(C(=O)O)c1O
InChIInChI=1S/C21H18O3/c1-21(15-9-4-2-5-10-15,16-11-6-3-7-12-16)18-14-8-13-17(19(18)22)20(23)24/h2-14,22H,1H3,(H,23,24)
InChIKeyHDCDUWSSQMONKQ-UHFFFAOYSA-N
MW318.37 g/mol
LogP4.44
Rot. Bonds4

About 3-(1,1-diphenylethyl)-2-hydroxybenzoic acid

3-(1,1-diphenylethyl)-2-hydroxybenzoic acid (PubChem CID 139751324) has the molecular formula C21H18O3 and a molecular weight of 318.37 g/mol. Its IUPAC name is 3-(1,1-diphenylethyl)-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-(1,1-diphenylethyl)-2-hydroxybenzoic acid
PubChem CID139751324
Molecular FormulaC21H18O3
Molecular Weight318.37 g/mol
Exact Mass318.13
IUPAC Name3-(1,1-diphenylethyl)-2-hydroxybenzoic acid
SMILESCC(c1ccccc1)(c1ccccc1)c1cccc(C(=O)O)c1O
InChIInChI=1S/C21H18O3/c1-21(15-9-4-2-5-10-15,16-11-6-3-7-12-16)18-14-8-13-17(19(18)22)20(23)24/h2-14,22H,1H3,(H,23,24)
InChIKeyHDCDUWSSQMONKQ-UHFFFAOYSA-N
XLogP4.44
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

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CID 19779155
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CID 56991164
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CID 139750828
3-tert-butyl-2-hydroxybenzoic acid;diphenyl carbonate
CID 87346943
2-hydroxy-3-(2-methyl-2-phenylpropyl)benzoic acid
CID 67818345
2-hydroxybenzene-1,3-dicarboxylic acid;methane
CID 174853771
2-hydroxybenzoic acid;2-[2-(2-hydroxyphenyl)propan-2-yl]phenol
CID 174517600
2-(2-sulfanylpropan-2-yl)benzoic acid
CID 91874166
2-hydroxy-3,5-bis(2-phenylpropan-2-yl)benzoic acid;zinc;hydrate
CID 67943288
hydrogen peroxide;2-hydroxy-3-methylbenzoic acid
CID 161037568
2-hydroxy-3,5-bis[2-(2-methylphenyl)propan-2-yl]benzoic acid
CID 70427385
2,3-ditert-butylbenzoic acid
CID 19875149

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-diphenylethyl)-2-hydroxybenzoic acid?
The IUPAC name of 3-(1,1-diphenylethyl)-2-hydroxybenzoic acid (CID 139751324) is 3-(1,1-diphenylethyl)-2-hydroxybenzoic acid.
What is the SMILES notation for 3-(1,1-diphenylethyl)-2-hydroxybenzoic acid?
The canonical SMILES for 3-(1,1-diphenylethyl)-2-hydroxybenzoic acid is CC(c1ccccc1)(c1ccccc1)c1cccc(C(=O)O)c1O.
What is the InChIKey of 3-(1,1-diphenylethyl)-2-hydroxybenzoic acid?
The InChIKey is HDCDUWSSQMONKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O3/c1-21(15-9-4-2-5-10-15,16-11-6-3-7-12-16)18-14-8-13-17(19(18)22)20(23)24/h2-14,22H,1H3,(H,23,24).
What are the key properties of 3-(1,1-diphenylethyl)-2-hydroxybenzoic acid?
3-(1,1-diphenylethyl)-2-hydroxybenzoic acid has a molecular weight of 318.37 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-diphenylethyl)-2-hydroxybenzoic acid is sourced from PubChem (CID 139751324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).