[3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone

C22H20O2 — CID 142829592

IUPAC[3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone
SMILESCC1=CC=C(C(=O)c2cccc(C(=O)c3ccc(C)cc3)c2)CC1
InChIInChI=1S/C22H20O2/c1-15-6-10-17(11-7-15)21(23)19-4-3-5-20(14-19)22(24)18-12-8-16(2)9-13-18/h3-8,10-12,14H,9,13H2,1-2H3
InChIKeyHLCRNFPJBDITKV-UHFFFAOYSA-N
MW316.40 g/mol
LogP5.08
Rot. Bonds4

About [3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone

[3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone (PubChem CID 142829592) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is [3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone.

Molecular Properties

Compound Name[3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone
PubChem CID142829592
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Name[3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone
SMILESCC1=CC=C(C(=O)c2cccc(C(=O)c3ccc(C)cc3)c2)CC1
InChIInChI=1S/C22H20O2/c1-15-6-10-17(11-7-15)21(23)19-4-3-5-20(14-19)22(24)18-12-8-16(2)9-13-18/h3-8,10-12,14H,9,13H2,1-2H3
InChIKeyHLCRNFPJBDITKV-UHFFFAOYSA-N
XLogP5.08
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.40
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 70870278
CID 70870278
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 58399730
[4-[4-[3-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;[4-[4-[4-(4-methoxybenzoyl)benzoyl]phenoxy]phenyl]-(4-methylphenyl)methanone;(4-methoxyphenyl)-[3-[4-(4-methylphenoxy)benzoyl]phenyl]methanone;(4-methoxyphenyl)-[4-[4-(4-methylphenoxy)benzoyl]phenyl]methanone
CID 160674185
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
CID 54157138
bis(3-methylphenyl)methanone
CID 17848
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
[3-(4-phenylbenzoyl)phenyl]-(4-phenylphenyl)methanone
CID 19009361
(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
[3-[3-(4-methyl-N-(4-methylphenyl)anilino)benzoyl]phenyl]-[3-(4-methyl-N-(4-methylphenyl)anilino)phenyl]methanone
CID 58084709
4-[3-(4-carboxybenzoyl)benzoyl]benzoic acid
CID 22561490

Frequently Asked Questions

What is the IUPAC name of [3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone?
The IUPAC name of [3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone (CID 142829592) is [3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone.
What is the SMILES notation for [3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone?
The canonical SMILES for [3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone is CC1=CC=C(C(=O)c2cccc(C(=O)c3ccc(C)cc3)c2)CC1.
What is the InChIKey of [3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone?
The InChIKey is HLCRNFPJBDITKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-15-6-10-17(11-7-15)21(23)19-4-3-5-20(14-19)22(24)18-12-8-16(2)9-13-18/h3-8,10-12,14H,9,13H2,1-2H3.
What are the key properties of [3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone?
[3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone has a molecular weight of 316.40 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-methylbenzoyl)phenyl]-(4-methylcyclohexa-1,3-dien-1-yl)methanone is sourced from PubChem (CID 142829592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).