2-(4-methylphenyl)-1,2,2-triphenylethanone

C27H22O — CID 122207100

IUPAC2-(4-methylphenyl)-1,2,2-triphenylethanone
SMILESCc1ccc(C(C(=O)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H22O/c1-21-17-19-25(20-18-21)27(23-13-7-3-8-14-23,24-15-9-4-10-16-24)26(28)22-11-5-2-6-12-22/h2-20H,1H3
InChIKeyHZBMVFZBGBFSAW-UHFFFAOYSA-N
MW362.47 g/mol
LogP6.21
Rot. Bonds5

About 2-(4-methylphenyl)-1,2,2-triphenylethanone

2-(4-methylphenyl)-1,2,2-triphenylethanone (PubChem CID 122207100) has the molecular formula C27H22O and a molecular weight of 362.47 g/mol. Its IUPAC name is 2-(4-methylphenyl)-1,2,2-triphenylethanone.

Molecular Properties

Compound Name2-(4-methylphenyl)-1,2,2-triphenylethanone
PubChem CID122207100
Molecular FormulaC27H22O
Molecular Weight362.47 g/mol
Exact Mass362.17
IUPAC Name2-(4-methylphenyl)-1,2,2-triphenylethanone
SMILESCc1ccc(C(C(=O)c2ccccc2)(c2ccccc2)c2ccccc2)cc1
InChIInChI=1S/C27H22O/c1-21-17-19-25(20-18-21)27(23-13-7-3-8-14-23,24-15-9-4-10-16-24)26(28)22-11-5-2-6-12-22/h2-20H,1H3
InChIKeyHZBMVFZBGBFSAW-UHFFFAOYSA-N
XLogP6.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 56.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-2-(4-methylphenyl)-1,2-diphenylethanone
CID 102359954
2-(4-methylphenyl)-2,2-diphenylacetic acid
CID 19733760
3,3-difluoro-2-methyl-2-(4-methylphenyl)-1-phenylpropan-1-one
CID 151177230
benzoic acid;4-methylbenzoic acid
CID 71272637
bis(4-tritylbenzoic acid);1,4-xylene
CID 139197830
2-(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1,2-diphenylethanone
CID 102309823
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
2-(4-methoxyphenyl)-2-(4-methylphenyl)-2-phenylacetamide
CID 121405860
1-methyl-4-[(4-methylphenyl)-diphenylmethyl]benzene
CID 22957062
2-chloro-1,2,2-triphenylethanone
CID 11301235
benzoic acid;4-methylaniline
CID 86190446
2-methyl-2-(4-methylphenyl)sulfonyl-1-phenylpropan-1-one
CID 13445258

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)-1,2,2-triphenylethanone?
The IUPAC name of 2-(4-methylphenyl)-1,2,2-triphenylethanone (CID 122207100) is 2-(4-methylphenyl)-1,2,2-triphenylethanone.
What is the SMILES notation for 2-(4-methylphenyl)-1,2,2-triphenylethanone?
The canonical SMILES for 2-(4-methylphenyl)-1,2,2-triphenylethanone is Cc1ccc(C(C(=O)c2ccccc2)(c2ccccc2)c2ccccc2)cc1.
What is the InChIKey of 2-(4-methylphenyl)-1,2,2-triphenylethanone?
The InChIKey is HZBMVFZBGBFSAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22O/c1-21-17-19-25(20-18-21)27(23-13-7-3-8-14-23,24-15-9-4-10-16-24)26(28)22-11-5-2-6-12-22/h2-20H,1H3.
What are the key properties of 2-(4-methylphenyl)-1,2,2-triphenylethanone?
2-(4-methylphenyl)-1,2,2-triphenylethanone has a molecular weight of 362.47 g/mol, XLogP of 6.21, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)-1,2,2-triphenylethanone is sourced from PubChem (CID 122207100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).