[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone

C22H18O2 — CID 90191697

IUPAC[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
SMILESCc1ccc(C)c(C(=O)c2cccc(C(=O)c3ccccc3)c2)c1
InChIInChI=1S/C22H18O2/c1-15-11-12-16(2)20(13-15)22(24)19-10-6-9-18(14-19)21(23)17-7-4-3-5-8-17/h3-14H,1-2H3
InChIKeyVJCCKVTYTWNYNP-UHFFFAOYSA-N
MW314.38 g/mol
LogP4.77
Rot. Bonds4

About [3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone

[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone (PubChem CID 90191697) has the molecular formula C22H18O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is [3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone.

Molecular Properties

Compound Name[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
PubChem CID90191697
Molecular FormulaC22H18O2
Molecular Weight314.38 g/mol
Exact Mass314.13
IUPAC Name[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
SMILESCc1ccc(C)c(C(=O)c2cccc(C(=O)c3ccccc3)c2)c1
InChIInChI=1S/C22H18O2/c1-15-11-12-16(2)20(13-15)22(24)19-10-6-9-18(14-19)21(23)17-7-4-3-5-8-17/h3-14H,1-2H3
InChIKeyVJCCKVTYTWNYNP-UHFFFAOYSA-N
XLogP4.77
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-(3-iodophenyl)methanone
CID 43159705
(2,5-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337272
(3-benzoylphenyl)-phenylmethanone;ethane
CID 145125865
(5-methyl-2-propan-2-ylphenyl)-phenylmethanone
CID 617254
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
2-benzoyl-5-methylbenzamide
CID 69123799
(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
bis(3-methylphenyl)methanone
CID 17848
diphenylmethanone;(4-methylphenyl)-phenylmethanone
CID 69336781
(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256
benzoyl 2,5-dimethylbenzoate
CID 87941827
(2-tert-butyl-5-methylphenyl)-phenylmethanone
CID 58452150

Frequently Asked Questions

What is the IUPAC name of [3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone?
The IUPAC name of [3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone (CID 90191697) is [3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone.
What is the SMILES notation for [3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone?
The canonical SMILES for [3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone is Cc1ccc(C)c(C(=O)c2cccc(C(=O)c3ccccc3)c2)c1.
What is the InChIKey of [3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone?
The InChIKey is VJCCKVTYTWNYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18O2/c1-15-11-12-16(2)20(13-15)22(24)19-10-6-9-18(14-19)21(23)17-7-4-3-5-8-17/h3-14H,1-2H3.
What are the key properties of [3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone?
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone has a molecular weight of 314.38 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone is sourced from PubChem (CID 90191697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).