(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone

C21H18O — CID 171716642

IUPAC(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone
SMILESCc1ccc(-c2ccccc2C(=O)c2ccccc2C)cc1
InChIInChI=1S/C21H18O/c1-15-11-13-17(14-12-15)19-9-5-6-10-20(19)21(22)18-8-4-3-7-16(18)2/h3-14H,1-2H3
InChIKeyNMBWVZQYVIEDGR-UHFFFAOYSA-N
MW286.37 g/mol
LogP5.20
Rot. Bonds3

About (2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone

(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone (PubChem CID 171716642) has the molecular formula C21H18O and a molecular weight of 286.37 g/mol. Its IUPAC name is (2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone.

Molecular Properties

Compound Name(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone
PubChem CID171716642
Molecular FormulaC21H18O
Molecular Weight286.37 g/mol
Exact Mass286.14
IUPAC Name(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone
SMILESCc1ccc(-c2ccccc2C(=O)c2ccccc2C)cc1
InChIInChI=1S/C21H18O/c1-15-11-13-17(14-12-15)19-9-5-6-10-20(19)21(22)18-8-4-3-7-16(18)2/h3-14H,1-2H3
InChIKeyNMBWVZQYVIEDGR-UHFFFAOYSA-N
XLogP5.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.37
LogP ≤ 55.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
bis[2-[4-(2-methylphenyl)sulfanylphenyl]phenyl]methanone
CID 154135705
bis[2-methyl-4-(4-methylphenyl)phenyl]methanone;ethane;bis(1-methyl-2-(2-methylphenyl)benzene)
CID 145444685
bis[2-(4-fluorophenyl)phenyl]methanone
CID 141033453
1-[2-(4-methylphenyl)phenyl]propan-1-one
CID 67873243
oxophosphane;(2-phenylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 174367673
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
[2-methoxy-5-[2-[2-[3-(2-methoxybenzoyl)-4-methylphenyl]phenyl]phenyl]phenyl]-(2-methylphenyl)methanone
CID 144622608
bis[2-methyl-3-(4-phenylphenyl)phenyl]methanone
CID 151132531
2-(4-methylphenyl)-N,N-di(propan-2-yl)benzamide
CID 11822559

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone?
The IUPAC name of (2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone (CID 171716642) is (2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone.
What is the SMILES notation for (2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone?
The canonical SMILES for (2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone is Cc1ccc(-c2ccccc2C(=O)c2ccccc2C)cc1.
What is the InChIKey of (2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone?
The InChIKey is NMBWVZQYVIEDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18O/c1-15-11-13-17(14-12-15)19-9-5-6-10-20(19)21(22)18-8-4-3-7-16(18)2/h3-14H,1-2H3.
What are the key properties of (2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone?
(2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone has a molecular weight of 286.37 g/mol, XLogP of 5.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-[2-(4-methylphenyl)phenyl]methanone is sourced from PubChem (CID 171716642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).