(4-ethylcyclohexyl)-(2-methylphenyl)methanone

C16H22O — CID 64774174

IUPAC(4-ethylcyclohexyl)-(2-methylphenyl)methanone
SMILESCCC1CCC(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C16H22O/c1-3-13-8-10-14(11-9-13)16(17)15-7-5-4-6-12(15)2/h4-7,13-14H,3,8-11H2,1-2H3
InChIKeyFAKADKWVEXQZAU-UHFFFAOYSA-N
MW230.35 g/mol
LogP4.39
Rot. Bonds3

About (4-ethylcyclohexyl)-(2-methylphenyl)methanone

(4-ethylcyclohexyl)-(2-methylphenyl)methanone (PubChem CID 64774174) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (4-ethylcyclohexyl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(4-ethylcyclohexyl)-(2-methylphenyl)methanone
PubChem CID64774174
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(4-ethylcyclohexyl)-(2-methylphenyl)methanone
SMILESCCC1CCC(C(=O)c2ccccc2C)CC1
InChIInChI=1S/C16H22O/c1-3-13-8-10-14(11-9-13)16(17)15-7-5-4-6-12(15)2/h4-7,13-14H,3,8-11H2,1-2H3
InChIKeyFAKADKWVEXQZAU-UHFFFAOYSA-N
XLogP4.39
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680
cyclooctyl-(2-methylphenyl)methanone
CID 80602643
(2-ethoxyphenyl)-(4-ethylcyclohexyl)methanone
CID 65395371
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
(4-ethylcyclohexyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752536
(2-bromo-3-fluorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975920
(3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975964
(2,5-dibromophenyl)-(4-ethylcyclohexyl)methanone
CID 114975946
(3-ethylcyclopentyl)-naphthalen-1-ylmethanone
CID 65409486
(4-ethylcyclohexyl)-quinolin-8-ylmethanone
CID 81221024
cyclopropyl-(2-fluoro-3-methylphenyl)methanone
CID 70266703
ethylcyclopropane;1-(2-prop-1-en-2-ylphenyl)ethanone
CID 143494422

Frequently Asked Questions

What is the IUPAC name of (4-ethylcyclohexyl)-(2-methylphenyl)methanone?
The IUPAC name of (4-ethylcyclohexyl)-(2-methylphenyl)methanone (CID 64774174) is (4-ethylcyclohexyl)-(2-methylphenyl)methanone.
What is the SMILES notation for (4-ethylcyclohexyl)-(2-methylphenyl)methanone?
The canonical SMILES for (4-ethylcyclohexyl)-(2-methylphenyl)methanone is CCC1CCC(C(=O)c2ccccc2C)CC1.
What is the InChIKey of (4-ethylcyclohexyl)-(2-methylphenyl)methanone?
The InChIKey is FAKADKWVEXQZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O/c1-3-13-8-10-14(11-9-13)16(17)15-7-5-4-6-12(15)2/h4-7,13-14H,3,8-11H2,1-2H3.
What are the key properties of (4-ethylcyclohexyl)-(2-methylphenyl)methanone?
(4-ethylcyclohexyl)-(2-methylphenyl)methanone has a molecular weight of 230.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylcyclohexyl)-(2-methylphenyl)methanone is sourced from PubChem (CID 64774174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).