(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone

C22H20O — CID 54157138

IUPAC(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
SMILESCc1ccc(Cc2ccc(C(=O)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H20O/c1-16-6-8-18(9-7-16)15-19-10-12-20(13-11-19)22(23)21-5-3-4-17(2)14-21/h3-14H,15H2,1-2H3
InChIKeyOLWHFPIIRCIIJK-UHFFFAOYSA-N
MW300.40 g/mol
LogP5.13
Rot. Bonds4

About (3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone

(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone (PubChem CID 54157138) has the molecular formula C22H20O and a molecular weight of 300.40 g/mol. Its IUPAC name is (3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
PubChem CID54157138
Molecular FormulaC22H20O
Molecular Weight300.40 g/mol
Exact Mass300.15
IUPAC Name(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
SMILESCc1ccc(Cc2ccc(C(=O)c3cccc(C)c3)cc2)cc1
InChIInChI=1S/C22H20O/c1-16-6-8-18(9-7-16)15-19-10-12-20(13-11-19)22(23)21-5-3-4-17(2)14-21/h3-14H,15H2,1-2H3
InChIKeyOLWHFPIIRCIIJK-UHFFFAOYSA-N
XLogP5.13
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.40
LogP ≤ 55.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(3-methylphenyl)methanone
CID 17848
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
(4-methylphenyl)-[4-[4-[4-[(4-methylphenyl)methyl]phenoxy]phenoxy]phenyl]methanone
CID 58983765
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
CID 21262973
(4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone
CID 141016021
(3-methylphenyl)-[4-(10-phenylanthracen-9-yl)phenyl]methanone
CID 87107427
CID 70870278
CID 70870278
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
[4-hydroxy-3-(hydroxymethyl)phenyl]-(3-methylphenyl)methanone
CID 71390287
bis(4-methylphenyl)methanone;1-[difluoro-(3-methylphenyl)methyl]-3-methylbenzene;1-[difluoro-(3-methylphenyl)methyl]-4-methylbenzene;1-[difluoro-(4-methylphenyl)methyl]-4-methylbenzene;1-methyl-3-(3-methylphenoxy)benzene;1-methyl-3-[(3-methylphenyl)methyl]benzene;1-methyl-3-[(4-methylphenyl)methyl]benzene;1-methyl-4-[(4-methylphenyl)methyl]benzene;1-methyl-3-(3-methylphenyl)sulfanylbenzene;1-methyl-3-(4-methylphenyl)sulfanylbenzene;1-methyl-4-(4-methylphenyl)sulfanylbenzene;(3-methylphenyl)-(4-methylphenyl)methanone
CID 160659617
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024

Frequently Asked Questions

What is the IUPAC name of (3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone?
The IUPAC name of (3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone (CID 54157138) is (3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone.
What is the SMILES notation for (3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone?
The canonical SMILES for (3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone is Cc1ccc(Cc2ccc(C(=O)c3cccc(C)c3)cc2)cc1.
What is the InChIKey of (3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone?
The InChIKey is OLWHFPIIRCIIJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O/c1-16-6-8-18(9-7-16)15-19-10-12-20(13-11-19)22(23)21-5-3-4-17(2)14-21/h3-14H,15H2,1-2H3.
What are the key properties of (3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone?
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone has a molecular weight of 300.40 g/mol, XLogP of 5.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone is sourced from PubChem (CID 54157138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).