(3-chlorophenyl)-(4-ethylcyclohexyl)methanone

C15H19ClO — CID 64776014

IUPAC(3-chlorophenyl)-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H19ClO/c1-2-11-6-8-12(9-7-11)15(17)13-4-3-5-14(16)10-13/h3-5,10-12H,2,6-9H2,1H3
InChIKeyKCFBQLXXKUGTBP-UHFFFAOYSA-N
MW250.77 g/mol
LogP4.74
Rot. Bonds3

About (3-chlorophenyl)-(4-ethylcyclohexyl)methanone

(3-chlorophenyl)-(4-ethylcyclohexyl)methanone (PubChem CID 64776014) has the molecular formula C15H19ClO and a molecular weight of 250.77 g/mol. Its IUPAC name is (3-chlorophenyl)-(4-ethylcyclohexyl)methanone.

Molecular Properties

Compound Name(3-chlorophenyl)-(4-ethylcyclohexyl)methanone
PubChem CID64776014
Molecular FormulaC15H19ClO
Molecular Weight250.77 g/mol
Exact Mass250.11
IUPAC Name(3-chlorophenyl)-(4-ethylcyclohexyl)methanone
SMILESCCC1CCC(C(=O)c2cccc(Cl)c2)CC1
InChIInChI=1S/C15H19ClO/c1-2-11-6-8-12(9-7-11)15(17)13-4-3-5-14(16)10-13/h3-5,10-12H,2,6-9H2,1H3
InChIKeyKCFBQLXXKUGTBP-UHFFFAOYSA-N
XLogP4.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.77
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3-chlorophenyl)-(4,4-difluorocyclohexyl)methanone
CID 105082691
(4-ethylcyclohexyl)-(4-fluoro-3-methylphenyl)methanone
CID 64775002
1-(3-chlorophenyl)-2-(4-ethylpiperidin-1-yl)ethanone
CID 61421832
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
3-bicyclo[3.1.0]hexanyl-(3-chlorophenyl)methanone
CID 114964124
(4-ethylcyclohexyl)-(3-ethyl-2-methoxyquinolin-6-yl)methanone
CID 71080673
(3-bromo-2-chlorophenyl)-(4-ethylcyclohexyl)methanone
CID 114975964
3-chloro-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]benzamide
CID 65124121
(4-ethylcyclohexyl)-(3-methoxy-4-methylphenyl)methanone
CID 114975950
(4-ethylcyclohexyl)-(4-propylphenyl)methanone
CID 65392475
(2,3-dimethylphenyl)-(4-ethylcyclohexyl)methanone
CID 65392680
4-[4-(3-chlorobenzoyl)piperidin-1-yl]-4-oxobutanoate
CID 6985915

Frequently Asked Questions

What is the IUPAC name of (3-chlorophenyl)-(4-ethylcyclohexyl)methanone?
The IUPAC name of (3-chlorophenyl)-(4-ethylcyclohexyl)methanone (CID 64776014) is (3-chlorophenyl)-(4-ethylcyclohexyl)methanone.
What is the SMILES notation for (3-chlorophenyl)-(4-ethylcyclohexyl)methanone?
The canonical SMILES for (3-chlorophenyl)-(4-ethylcyclohexyl)methanone is CCC1CCC(C(=O)c2cccc(Cl)c2)CC1.
What is the InChIKey of (3-chlorophenyl)-(4-ethylcyclohexyl)methanone?
The InChIKey is KCFBQLXXKUGTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO/c1-2-11-6-8-12(9-7-11)15(17)13-4-3-5-14(16)10-13/h3-5,10-12H,2,6-9H2,1H3.
What are the key properties of (3-chlorophenyl)-(4-ethylcyclohexyl)methanone?
(3-chlorophenyl)-(4-ethylcyclohexyl)methanone has a molecular weight of 250.77 g/mol, XLogP of 4.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorophenyl)-(4-ethylcyclohexyl)methanone is sourced from PubChem (CID 64776014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).