(2-benzoyl-3,4-diethylphenyl)-phenylmethanone

C24H22O2 — CID 175879744

IUPAC(2-benzoyl-3,4-diethylphenyl)-phenylmethanone
SMILESCCc1ccc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)c1CC
InChIInChI=1S/C24H22O2/c1-3-17-15-16-21(23(25)18-11-7-5-8-12-18)22(20(17)4-2)24(26)19-13-9-6-10-14-19/h5-16H,3-4H2,1-2H3
InChIKeyQPNSZDUELAQIMS-UHFFFAOYSA-N
MW342.44 g/mol
LogP5.27
Rot. Bonds6

About (2-benzoyl-3,4-diethylphenyl)-phenylmethanone

(2-benzoyl-3,4-diethylphenyl)-phenylmethanone (PubChem CID 175879744) has the molecular formula C24H22O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is (2-benzoyl-3,4-diethylphenyl)-phenylmethanone.

Molecular Properties

Compound Name(2-benzoyl-3,4-diethylphenyl)-phenylmethanone
PubChem CID175879744
Molecular FormulaC24H22O2
Molecular Weight342.44 g/mol
Exact Mass342.16
IUPAC Name(2-benzoyl-3,4-diethylphenyl)-phenylmethanone
SMILESCCc1ccc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)c1CC
InChIInChI=1S/C24H22O2/c1-3-17-15-16-21(23(25)18-11-7-5-8-12-18)22(20(17)4-2)24(26)19-13-9-6-10-14-19/h5-16H,3-4H2,1-2H3
InChIKeyQPNSZDUELAQIMS-UHFFFAOYSA-N
XLogP5.27
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.44
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
CID 174596350
1-(6-benzoyl-3-ethyl-2-hexylphenyl)butan-1-one
CID 175136578
azane;1-phenyl-2-(2,3,4-triethylphenyl)ethane-1,2-dione;hydrobromide
CID 174431283
sodium;(2-ethylphenyl)-phenylmethanone;hydride
CID 175475173
3,4-dibenzoylphthalic acid
CID 22269446
trimethyl 4-benzoylbenzene-1,2,3-tricarboxylate
CID 139914532
(2-amino-3,4-dipropylphenyl)-phenylmethanone
CID 154351124
(3-ethyl-2-hydroxy-4-methoxyphenyl)-phenylmethanone
CID 18714090
3,4-diethylphthalic acid;2-methoxycarbonylbenzoic acid
CID 175740531
1,2-diethyl-3-(1-phenylethenyl)benzene
CID 18968379
(2,4-diethyl-3-fluoro-6-hydroxyphenyl)-phenylmethanone
CID 102273470
disodium;3,4-diethylphthalate
CID 140970189

Frequently Asked Questions

What is the IUPAC name of (2-benzoyl-3,4-diethylphenyl)-phenylmethanone?
The IUPAC name of (2-benzoyl-3,4-diethylphenyl)-phenylmethanone (CID 175879744) is (2-benzoyl-3,4-diethylphenyl)-phenylmethanone.
What is the SMILES notation for (2-benzoyl-3,4-diethylphenyl)-phenylmethanone?
The canonical SMILES for (2-benzoyl-3,4-diethylphenyl)-phenylmethanone is CCc1ccc(C(=O)c2ccccc2)c(C(=O)c2ccccc2)c1CC.
What is the InChIKey of (2-benzoyl-3,4-diethylphenyl)-phenylmethanone?
The InChIKey is QPNSZDUELAQIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22O2/c1-3-17-15-16-21(23(25)18-11-7-5-8-12-18)22(20(17)4-2)24(26)19-13-9-6-10-14-19/h5-16H,3-4H2,1-2H3.
What are the key properties of (2-benzoyl-3,4-diethylphenyl)-phenylmethanone?
(2-benzoyl-3,4-diethylphenyl)-phenylmethanone has a molecular weight of 342.44 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzoyl-3,4-diethylphenyl)-phenylmethanone is sourced from PubChem (CID 175879744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).