1-(2-chloro-4-cyclohexylphenyl)ethanone

C14H17ClO — CID 56998261

IUPAC1-(2-chloro-4-cyclohexylphenyl)ethanone
SMILESCC(=O)c1ccc(C2CCCCC2)cc1Cl
InChIInChI=1S/C14H17ClO/c1-10(16)13-8-7-12(9-14(13)15)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyDTXXMZPTQRKOPJ-UHFFFAOYSA-N
MW236.74 g/mol
LogP4.59
Rot. Bonds2

About 1-(2-chloro-4-cyclohexylphenyl)ethanone

1-(2-chloro-4-cyclohexylphenyl)ethanone (PubChem CID 56998261) has the molecular formula C14H17ClO and a molecular weight of 236.74 g/mol. Its IUPAC name is 1-(2-chloro-4-cyclohexylphenyl)ethanone.

Molecular Properties

Compound Name1-(2-chloro-4-cyclohexylphenyl)ethanone
PubChem CID56998261
Molecular FormulaC14H17ClO
Molecular Weight236.74 g/mol
Exact Mass236.10
IUPAC Name1-(2-chloro-4-cyclohexylphenyl)ethanone
SMILESCC(=O)c1ccc(C2CCCCC2)cc1Cl
InChIInChI=1S/C14H17ClO/c1-10(16)13-8-7-12(9-14(13)15)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3
InChIKeyDTXXMZPTQRKOPJ-UHFFFAOYSA-N
XLogP4.59
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.74
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-chloro-4-cyclohexylaniline
CID 18451501
methyl 4-cycloheptyl-2-methylbenzoate
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CID 20521551
2-chloro-4-[(4-cyclohexylphenyl)methylamino]benzoic acid
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N-acetyl-5-cyclohexyl-2-iodosylbenzamide
CID 23357766
2-chloro-5-[(4-cyclohexylbenzoyl)amino]-N-methylbenzamide
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[(2S)-3-(2-acetyl-4-cyclohexylphenoxy)-2-hydroxypropyl]-tert-butylazanium
CID 6931305
1-(4-chloro-5-cyclohexylfuran-2-yl)ethanone
CID 84690816
3-(4-cyclohexylphenyl)-3-methylbutan-2-one
CID 82294466
1,3-dicyclohexylbenzene;hydrogen peroxide
CID 88772360
1-[2-chloro-4-[3-(1-cyclohexylpiperidin-4-yl)-4-methoxyphenyl]phenyl]ethanone
CID 163426388
1-[2-(4-cyclohexylphenyl)quinolin-4-yl]ethanone
CID 145465094

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-cyclohexylphenyl)ethanone?
The IUPAC name of 1-(2-chloro-4-cyclohexylphenyl)ethanone (CID 56998261) is 1-(2-chloro-4-cyclohexylphenyl)ethanone.
What is the SMILES notation for 1-(2-chloro-4-cyclohexylphenyl)ethanone?
The canonical SMILES for 1-(2-chloro-4-cyclohexylphenyl)ethanone is CC(=O)c1ccc(C2CCCCC2)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-cyclohexylphenyl)ethanone?
The InChIKey is DTXXMZPTQRKOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO/c1-10(16)13-8-7-12(9-14(13)15)11-5-3-2-4-6-11/h7-9,11H,2-6H2,1H3.
What are the key properties of 1-(2-chloro-4-cyclohexylphenyl)ethanone?
1-(2-chloro-4-cyclohexylphenyl)ethanone has a molecular weight of 236.74 g/mol, XLogP of 4.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-cyclohexylphenyl)ethanone is sourced from PubChem (CID 56998261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).