bis(2-ethyl-3-methylphenyl)methanone

C19H22O — CID 141055739

IUPACbis(2-ethyl-3-methylphenyl)methanone
SMILESCCc1c(C)cccc1C(=O)c1cccc(C)c1CC
InChIInChI=1S/C19H22O/c1-5-15-13(3)9-7-11-17(15)19(20)18-12-8-10-14(4)16(18)6-2/h7-12H,5-6H2,1-4H3
InChIKeyLDGJPRALHCOSFT-UHFFFAOYSA-N
MW266.38 g/mol
LogP4.66
Rot. Bonds4

About bis(2-ethyl-3-methylphenyl)methanone

bis(2-ethyl-3-methylphenyl)methanone (PubChem CID 141055739) has the molecular formula C19H22O and a molecular weight of 266.38 g/mol. Its IUPAC name is bis(2-ethyl-3-methylphenyl)methanone.

Molecular Properties

Compound Namebis(2-ethyl-3-methylphenyl)methanone
PubChem CID141055739
Molecular FormulaC19H22O
Molecular Weight266.38 g/mol
Exact Mass266.17
IUPAC Namebis(2-ethyl-3-methylphenyl)methanone
SMILESCCc1c(C)cccc1C(=O)c1cccc(C)c1CC
InChIInChI=1S/C19H22O/c1-5-15-13(3)9-7-11-17(15)19(20)18-12-8-10-14(4)16(18)6-2/h7-12H,5-6H2,1-4H3
InChIKeyLDGJPRALHCOSFT-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

bis(2-ethyl-3-hydroxyphenyl)methanone
CID 154331637
1-[(E)-but-2-en-2-yl]-2-ethyl-3-methylbenzene
CID 178110448
N',2-diethyl-3-methylbenzenecarboximidamide
CID 129196541
2-[2-(2,3-diethylbenzoyl)phenyl]benzoic acid
CID 175134431
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(2-ethyl-3-methylphenyl) hydrogen carbonate
CID 57357768
(2-ethyl-6-methylphenyl)methanol
CID 52987948
1-(2-acetyl-6-methylphenyl)propan-2-one
CID 58202287
5,6-dimethylhept-6-en-2-one;ethane;1-(2-ethyl-3-methylphenyl)ethanone
CID 171802070
(2,3-diethylphenyl)-phenylmethanone;phosphenous acid
CID 174596350
3-methyl-2-(3-oxopentyl)benzoic acid
CID 151801998
(4-ethylphenyl)-(2-fluoro-3-methylphenyl)methanone
CID 81480205

Frequently Asked Questions

What is the IUPAC name of bis(2-ethyl-3-methylphenyl)methanone?
The IUPAC name of bis(2-ethyl-3-methylphenyl)methanone (CID 141055739) is bis(2-ethyl-3-methylphenyl)methanone.
What is the SMILES notation for bis(2-ethyl-3-methylphenyl)methanone?
The canonical SMILES for bis(2-ethyl-3-methylphenyl)methanone is CCc1c(C)cccc1C(=O)c1cccc(C)c1CC.
What is the InChIKey of bis(2-ethyl-3-methylphenyl)methanone?
The InChIKey is LDGJPRALHCOSFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22O/c1-5-15-13(3)9-7-11-17(15)19(20)18-12-8-10-14(4)16(18)6-2/h7-12H,5-6H2,1-4H3.
What are the key properties of bis(2-ethyl-3-methylphenyl)methanone?
bis(2-ethyl-3-methylphenyl)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 bis(2-ethyl-3-methylphenyl)methanone is sourced from PubChem (CID 141055739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).