diphenylmethanone;(4-methylphenyl)-phenylmethanone

C27H22O2 — CID 69336781

IUPACdiphenylmethanone;(4-methylphenyl)-phenylmethanone
SMILESCc1ccc(C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O.C13H10O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-10H,1H3;1-10H
InChIKeyRLGQLKYQBOXVPP-UHFFFAOYSA-N
MW378.47 g/mol
LogP6.14
Rot. Bonds4

About diphenylmethanone;(4-methylphenyl)-phenylmethanone

diphenylmethanone;(4-methylphenyl)-phenylmethanone (PubChem CID 69336781) has the molecular formula C27H22O2 and a molecular weight of 378.47 g/mol. Its IUPAC name is diphenylmethanone;(4-methylphenyl)-phenylmethanone.

Molecular Properties

Compound Namediphenylmethanone;(4-methylphenyl)-phenylmethanone
PubChem CID69336781
Molecular FormulaC27H22O2
Molecular Weight378.47 g/mol
Exact Mass378.16
IUPAC Namediphenylmethanone;(4-methylphenyl)-phenylmethanone
SMILESCc1ccc(C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H12O.C13H10O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-10H,1H3;1-10H
InChIKeyRLGQLKYQBOXVPP-UHFFFAOYSA-N
XLogP6.14
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.47
LogP ≤ 56.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;[4-[4-[4-[4-(4-methylphenyl)phenyl]phenyl]phenyl]phenyl]-phenylmethanone
CID 159022602
diphenylmethanone;ethane;toluene
CID 157406780
[4-(4-methylbenzenecarbothioyl)phenyl]-phenylmethanone
CID 151070047
(4-methylphenyl)-phenylmethanone;prop-2-enoic acid
CID 175172073
[4-(4-methylphenyl)sulfinylphenyl]-phenylmethanone
CID 11450048
benzoic acid;4-methylbenzoic acid
CID 71272637
2-methylbenzene-1,3-dicarboxylic acid;(4-methylphenyl)-phenylmethanone
CID 174815281
boric acid;2,3-dimethylbutane-2,3-diol;(4-methylphenyl)-phenylmethanone
CID 175517764
(4-methylphenyl)-[4-[2-(4-methylphenyl)phenyl]phenyl]methanone
CID 175461017
phenyl-[4-(trideuteriomethyl)phenyl]methanone
CID 71750207
diphenylmethanone;ethane
CID 158014879
diphenylmethanone
CID 3102

Frequently Asked Questions

What is the IUPAC name of diphenylmethanone;(4-methylphenyl)-phenylmethanone?
The IUPAC name of diphenylmethanone;(4-methylphenyl)-phenylmethanone (CID 69336781) is diphenylmethanone;(4-methylphenyl)-phenylmethanone.
What is the SMILES notation for diphenylmethanone;(4-methylphenyl)-phenylmethanone?
The canonical SMILES for diphenylmethanone;(4-methylphenyl)-phenylmethanone is Cc1ccc(C(=O)c2ccccc2)cc1.O=C(c1ccccc1)c1ccccc1.
What is the InChIKey of diphenylmethanone;(4-methylphenyl)-phenylmethanone?
The InChIKey is RLGQLKYQBOXVPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O.C13H10O/c1-11-7-9-13(10-8-11)14(15)12-5-3-2-4-6-12;14-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h2-10H,1H3;1-10H.
What are the key properties of diphenylmethanone;(4-methylphenyl)-phenylmethanone?
diphenylmethanone;(4-methylphenyl)-phenylmethanone has a molecular weight of 378.47 g/mol, XLogP of 6.14, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for diphenylmethanone;(4-methylphenyl)-phenylmethanone is sourced from PubChem (CID 69336781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).