2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone

C16H21ClO — CID 64776634

IUPAC2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
SMILESCCC1CCC(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H21ClO/c1-2-12-7-9-13(10-8-12)16(18)11-14-5-3-4-6-15(14)17/h3-6,12-13H,2,7-11H2,1H3
InChIKeyMDKRZXKXIPRRHR-UHFFFAOYSA-N
MW264.80 g/mol
LogP4.67
Rot. Bonds4

About 2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone

2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone (PubChem CID 64776634) has the molecular formula C16H21ClO and a molecular weight of 264.80 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
PubChem CID64776634
Molecular FormulaC16H21ClO
Molecular Weight264.80 g/mol
Exact Mass264.13
IUPAC Name2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone
SMILESCCC1CCC(C(=O)Cc2ccccc2Cl)CC1
InChIInChI=1S/C16H21ClO/c1-2-12-7-9-13(10-8-12)16(18)11-14-5-3-4-6-15(14)17/h3-6,12-13H,2,7-11H2,1H3
InChIKeyMDKRZXKXIPRRHR-UHFFFAOYSA-N
XLogP4.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.80
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-ethylcyclohexyl)-2-naphthalen-1-ylethanone
CID 65393715
2-(2-chlorophenyl)-1-cyclobutylethanone
CID 61054249
2-(2-chlorophenyl)-1-cycloheptylethanone
CID 55091340
2-(3,4-dichlorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 64773768
1-chloro-2-[2-(4-ethylcyclohexyl)ethyl]benzene
CID 67782354
2-(2-chlorophenyl)-N-[(4-ethyl-1-hydroxycyclohexyl)methyl]acetamide
CID 65121812
1-cyclopropyl-2-(2-methylphenyl)ethanone
CID 39236490
1-(4-tert-butylcyclohexyl)-2-(2,3-dichlorophenyl)ethanone
CID 107307912
(2,3-dichlorophenyl)-(4-ethylcyclohexyl)methanone
CID 65394546
2-anilino-1-(4-ethylcyclohexyl)ethanone
CID 116555398
1-cyclobutyl-2-(2,3-dichlorophenyl)ethanone
CID 107307888
2-(5-bromo-2-fluorophenyl)-1-(4-ethylcyclohexyl)ethanone
CID 65393093

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone (CID 64776634) is 2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone is CCC1CCC(C(=O)Cc2ccccc2Cl)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone?
The InChIKey is MDKRZXKXIPRRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClO/c1-2-12-7-9-13(10-8-12)16(18)11-14-5-3-4-6-15(14)17/h3-6,12-13H,2,7-11H2,1H3.
What are the key properties of 2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone?
2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone has a molecular weight of 264.80 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-(4-ethylcyclohexyl)ethanone is sourced from PubChem (CID 64776634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).