(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one

C23H22O2 — CID 175125540

IUPAC(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
SMILESCCC(=O)c1ccccc1.Cc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C14H12O.C9H10O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12;1-2-9(10)8-6-4-3-5-7-8/h2-10H,1H3;3-7H,2H2,1H3
InChIKeyWFQHGFAOYXIASG-UHFFFAOYSA-N
MW330.43 g/mol
LogP5.51
Rot. Bonds4

About (2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one

(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one (PubChem CID 175125540) has the molecular formula C23H22O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is (2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one.

Molecular Properties

Compound Name(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
PubChem CID175125540
Molecular FormulaC23H22O2
Molecular Weight330.43 g/mol
Exact Mass330.16
IUPAC Name(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one
SMILESCCC(=O)c1ccccc1.Cc1ccccc1C(=O)c1ccccc1
InChIInChI=1S/C14H12O.C9H10O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12;1-2-9(10)8-6-4-3-5-7-8/h2-10H,1H3;3-7H,2H2,1H3
InChIKeyWFQHGFAOYXIASG-UHFFFAOYSA-N
XLogP5.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.43
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 11159350
methyl 3-(2-methylphenyl)-3-oxopropanoate;1-phenylpropan-1-one
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1-aminopropan-2-one;(2-methylphenyl)-phenylmethanone
CID 143285715
1-phenylpropan-1-one;zirconium
CID 173295106
methane;1-phenylpropan-1-one
CID 67638055
(2-methylphenyl)-(4-methylphenyl)methanone
CID 6613295
N,N-dimethylmethanamine;1-phenylpropan-1-one
CID 174454319
(3-hydroxyphenyl)-(2-methylphenyl)methanone
CID 68613493
2-formyloxyacetic acid;(2-methylphenyl)-phenylmethanone
CID 175031388
(2-methylphenyl)-pyridin-4-ylmethanone
CID 19957162
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
4-(2-methylbenzoyl)phthalic acid
CID 22362607

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one?
The IUPAC name of (2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one (CID 175125540) is (2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one.
What is the SMILES notation for (2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one?
The canonical SMILES for (2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one is CCC(=O)c1ccccc1.Cc1ccccc1C(=O)c1ccccc1.
What is the InChIKey of (2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one?
The InChIKey is WFQHGFAOYXIASG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O.C9H10O/c1-11-7-5-6-10-13(11)14(15)12-8-3-2-4-9-12;1-2-9(10)8-6-4-3-5-7-8/h2-10H,1H3;3-7H,2H2,1H3.
What are the key properties of (2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one?
(2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one has a molecular weight of 330.43 g/mol, XLogP of 5.51, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)-phenylmethanone;1-phenylpropan-1-one is sourced from PubChem (CID 175125540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).