2-(4-methylphenyl)-2,2-diphenylacetic acid

C21H18O2 — CID 19733760

IUPAC2-(4-methylphenyl)-2,2-diphenylacetic acid
SMILESCc1ccc(C(C(=O)O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18O2/c1-16-12-14-19(15-13-16)21(20(22)23,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3,(H,22,23)
InChIKeyNJSPKFGJUCICJO-UHFFFAOYSA-N
MW302.37 g/mol
LogP4.41
Rot. Bonds4

About 2-(4-methylphenyl)-2,2-diphenylacetic acid

2-(4-methylphenyl)-2,2-diphenylacetic acid (PubChem CID 19733760) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is 2-(4-methylphenyl)-2,2-diphenylacetic acid.

Molecular Properties

Compound Name2-(4-methylphenyl)-2,2-diphenylacetic acid
PubChem CID19733760
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name2-(4-methylphenyl)-2,2-diphenylacetic acid
SMILESCc1ccc(C(C(=O)O)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C21H18O2/c1-16-12-14-19(15-13-16)21(20(22)23,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3,(H,22,23)
InChIKeyNJSPKFGJUCICJO-UHFFFAOYSA-N
XLogP4.41
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methylphenyl)-1,2,2-triphenylethanone
CID 122207100
bis(4-tritylbenzoic acid);1,4-xylene
CID 139197830
methyl 2-(4-methylphenyl)-2-phenyl-2-sulfanylacetate
CID 87833882
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
2-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylacetamide
CID 121405860
2-methyl-2-(4-methylphenyl)propanedioic acid
CID 67424515
(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone
CID 102359954
(2R)-2-hydroxy-2-(4-methylphenyl)propanoic acid
CID 21123439
2-(2-methylphenyl)-2,2-bis(4-methylphenyl)acetamide
CID 20684858
2,2,2-tris(4-fluorophenyl)acetic acid
CID 91545050
benzoic acid;4-methylbenzoic acid
CID 71272637
2-anilino-2-(4-methylphenyl)propanoic acid
CID 60992300

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-2,2-diphenylacetic acid?
The IUPAC name of 2-(4-methylphenyl)-2,2-diphenylacetic acid (CID 19733760) is 2-(4-methylphenyl)-2,2-diphenylacetic acid.
What is the SMILES notation for 2-(4-methylphenyl)-2,2-diphenylacetic acid?
The canonical SMILES for 2-(4-methylphenyl)-2,2-diphenylacetic acid is Cc1ccc(C(C(=O)O)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-2,2-diphenylacetic acid?
The InChIKey is NJSPKFGJUCICJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O2/c1-16-12-14-19(15-13-16)21(20(22)23,17-8-4-2-5-9-17)18-10-6-3-7-11-18/h2-15H,1H3,(H,22,23).
What are the key properties of 2-(4-methylphenyl)-2,2-diphenylacetic acid?
2-(4-methylphenyl)-2,2-diphenylacetic acid has a molecular weight of 302.37 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-2,2-diphenylacetic acid is sourced from PubChem (CID 19733760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).