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

C17H24O — CID 65392680

IUPAC(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cccc(C)c2C)CC1
InChIInChI=1S/C17H24O/c1-4-14-8-10-15(11-9-14)17(18)16-7-5-6-12(2)13(16)3/h5-7,14-15H,4,8-11H2,1-3H3
InChIKeyAHCSMZMOLMWUOH-UHFFFAOYSA-N
MW244.38 g/mol
LogP4.70
Rot. Bonds3

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

(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone (PubChem CID 65392680) has the molecular formula C17H24O and a molecular weight of 244.38 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
PubChem CID65392680
Molecular FormulaC17H24O
Molecular Weight244.38 g/mol
Exact Mass244.18
IUPAC Name(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cccc(C)c2C)CC1
InChIInChI=1S/C17H24O/c1-4-14-8-10-15(11-9-14)17(18)16-7-5-6-12(2)13(16)3/h5-7,14-15H,4,8-11H2,1-3H3
InChIKeyAHCSMZMOLMWUOH-UHFFFAOYSA-N
XLogP4.70
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(4-ethylcyclohexyl)-(2-methylphenyl)methanone
CID 64774174
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
(2,3-dimethylphenyl)-[4-(trifluoromethyl)cyclohexyl]methanone
CID 105093800
(3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975964
(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975920
cyclopropyl-(2-fluoro-3-methylphenyl)methanone
CID 70266703
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
(4-ethylcyclohexyl)-quinolin-8-ylmethanone
CID 81221024
1-cyclopropyl-2-(2,3-dimethylphenyl)ethane-1,2-dione
CID 91616312
(2,3-dimethylphenyl)-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)methanone
CID 171944535
(4-ethylcyclohexyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752536
3-(2,3-dimethylbenzoyl)cyclohexan-1-one
CID 79625320

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone?
The IUPAC name of (2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone (CID 65392680) is (2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone?
The canonical SMILES for (2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)c2cccc(C)c2C)CC1.
What is the InChIKey of (2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone?
The InChIKey is AHCSMZMOLMWUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O/c1-4-14-8-10-15(11-9-14)17(18)16-7-5-6-12(2)13(16)3/h5-7,14-15H,4,8-11H2,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone?
(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone has a molecular weight of 244.38 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 65392680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).