bis(3-methylphenyl)methanone

C15H14O — CID 17848

IUPACbis(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cccc(C)c2)c1
InChIInChI=1S/C15H14O/c1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKeyCGXDIDXEMHMPIX-UHFFFAOYSA-N
MW210.28 g/mol
LogP3.53
Rot. Bonds2

About bis(3-methylphenyl)methanone

bis(3-methylphenyl)methanone (PubChem CID 17848) has the molecular formula C15H14O and a molecular weight of 210.28 g/mol. Its IUPAC name is bis(3-methylphenyl)methanone.

Molecular Properties

Compound Namebis(3-methylphenyl)methanone
PubChem CID17848
Molecular FormulaC15H14O
Molecular Weight210.28 g/mol
Exact Mass210.10
IUPAC Namebis(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)c2cccc(C)c2)c1
InChIInChI=1S/C15H14O/c1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14/h3-10H,1-2H3
InChIKeyCGXDIDXEMHMPIX-UHFFFAOYSA-N
XLogP3.53
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze bis(3-methylphenyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-hydroxyphenyl)-(3-methylphenyl)methanone
CID 22132621
(3-methylphenyl)-naphthalen-2-ylmethanone
CID 15552635
(4-chloro-3-methylphenyl)-(3-methylphenyl)methanone
CID 112694024
(3-methylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 55026756
(3-methylbenzoyl)azanium
CID 153183849
3-methylbenzoic acid
CID 7418
(3-methylphenyl)-(4-methylsulfonylphenyl)methanone
CID 21262973
(3-methylphenyl)-[4-[(4-methylphenyl)methyl]phenyl]methanone
CID 54157138
(4-dichlorophosphorylphenyl)-(3-methylphenyl)methanone
CID 141016021
3-methylbenzenecarboselenoic Se-acid
CID 166513879
[4-hydroxy-3-(hydroxymethyl)phenyl]-(3-methylphenyl)methanone
CID 71390287
methyl-[3-(3-methylbenzoyl)phenyl]carbamic acid
CID 67683121

Frequently Asked Questions

What is the IUPAC name of bis(3-methylphenyl)methanone?
The IUPAC name of bis(3-methylphenyl)methanone (CID 17848) is bis(3-methylphenyl)methanone.
What is the SMILES notation for bis(3-methylphenyl)methanone?
The canonical SMILES for bis(3-methylphenyl)methanone is Cc1cccc(C(=O)c2cccc(C)c2)c1.
What is the InChIKey of bis(3-methylphenyl)methanone?
The InChIKey is CGXDIDXEMHMPIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O/c1-11-5-3-7-13(9-11)15(16)14-8-4-6-12(2)10-14/h3-10H,1-2H3.
What are the key properties of bis(3-methylphenyl)methanone?
bis(3-methylphenyl)methanone has a molecular weight of 210.28 g/mol, XLogP of 3.53, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylphenyl)methanone is sourced from PubChem (CID 17848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).