(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone

C19H22O — CID 115481860

IUPAC(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cccc(C)c2C)cc1CC
InChIInChI=1S/C19H22O/c1-5-15-10-11-17(12-16(15)6-2)19(20)18-9-7-8-13(3)14(18)4/h7-12H,5-6H2,1-4H3
InChIKeyPQCDMSQWQBHOJD-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.66
Rot. Bonds4

About (3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone

(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone (PubChem CID 115481860) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is (3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone.

Molecular Properties

Compound Name(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
PubChem CID115481860
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Name(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone
SMILESCCc1ccc(C(=O)c2cccc(C)c2C)cc1CC
InChIInChI=1S/C19H22O/c1-5-15-10-11-17(12-16(15)6-2)19(20)18-9-7-8-13(3)14(18)4/h7-12H,5-6H2,1-4H3
InChIKeyPQCDMSQWQBHOJD-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.38
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-bromo-4-methylphenyl)-(2,3-dimethylphenyl)methanone
CID 112694096
4-(2,3-dimethylbenzoyl)benzoic acid
CID 175457920
(5-bromo-2-methylphenyl)-(3,4-diethylphenyl)methanone
CID 115481807
(2,3-dimethylphenyl)-(4-fluorophenyl)methanone
CID 43159951
(3,4-diethylphenyl)-(2-methylfuran-3-yl)methanone
CID 115481887
(3-bromo-4-chlorophenyl)-(2,3-dimethylphenyl)methanone
CID 115565910
[3-(2,3-dimethylbenzoyl)phenyl] acetate
CID 24722984
(4-bromo-3,5-dimethylphenyl)-(2,3-dimethylphenyl)methanone
CID 114329761
1,3-dihydro-2-benzofuran-5-yl-(2,3-dimethylphenyl)methanone
CID 63019871
(2,3-dimethylphenyl)-(5-methylfuran-3-yl)methanone
CID 114970147
(3,4-diethylphenyl)-(2-methoxy-5-methylphenyl)methanone
CID 115481824
(3-chloro-4-methoxyphenyl)-(2,3-dimethylphenyl)methanone
CID 43339771

Frequently Asked Questions

What is the IUPAC name of (3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone?
The IUPAC name of (3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone (CID 115481860) is (3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone.
What is the SMILES notation for (3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone?
The canonical SMILES for (3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone is CCc1ccc(C(=O)c2cccc(C)c2C)cc1CC.
What is the InChIKey of (3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone?
The InChIKey is PQCDMSQWQBHOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-5-15-10-11-17(12-16(15)6-2)19(20)18-9-7-8-13(3)14(18)4/h7-12H,5-6H2,1-4H3.
What are the key properties of (3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone?
(3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone has a molecular weight of 266.38 g/mol, XLogP of 4.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-diethylphenyl)-(2,3-dimethylphenyl)methanone is sourced from PubChem (CID 115481860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).