1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one

C17H23ClO — CID 3104712

IUPAC1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one
SMILESCCCCC(=O)C1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClO/c1-2-3-4-17(19)15-7-5-13(6-8-15)14-9-11-16(18)12-10-14/h9-13,15H,2-8H2,1H3
InChIKeyATCGDYBMVWQISD-UHFFFAOYSA-N
MW278.82 g/mol
LogP5.37
Rot. Bonds5

About 1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one

1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one (PubChem CID 3104712) has the molecular formula C17H23ClO and a molecular weight of 278.82 g/mol. Its IUPAC name is 1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one.

Molecular Properties

Compound Name1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one
PubChem CID3104712
Molecular FormulaC17H23ClO
Molecular Weight278.82 g/mol
Exact Mass278.14
IUPAC Name1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one
SMILESCCCCC(=O)C1CCC(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClO/c1-2-3-4-17(19)15-7-5-13(6-8-15)14-9-11-16(18)12-10-14/h9-13,15H,2-8H2,1H3
InChIKeyATCGDYBMVWQISD-UHFFFAOYSA-N
XLogP5.37
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.82
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[4-[4-(4-pentanoylcyclohexyl)phenyl]cyclohexyl]pentan-1-one
CID 101058020
1-[4-(4-butanoylphenyl)cyclohexyl]hexan-1-one
CID 70444169
1-(4-pyridin-3-ylcyclohexyl)pentan-1-one
CID 118147206
4-(4-chlorophenyl)cyclohexane-1-carboxylic acid
CID 2735792
1-(4-methylcyclohexyl)pentan-1-one
CID 62621945
1,9-bis[4-(4-propanoylcyclohexyl)phenyl]nonan-5-one
CID 70444310
1-[4-[(4-butylcyclohexyl)methyl]cyclohexyl]-4-chlorobenzene
CID 139724423
4-(4-chlorophenyl)-1-pentylpiperidine
CID 66635369
1,7-bis[4-(4-propanoylcyclohexyl)phenyl]heptan-4-one
CID 70445056
1-(4-phenylcyclohexyl)propan-1-one
CID 13042788
1,5-bis[4-(4-chlorophenyl)cyclohexyl]pentan-3-one
CID 174614729
1-[4-[4-(4-propanoylcyclohexyl)phenyl]phenyl]butan-1-one
CID 70445259

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one?
The IUPAC name of 1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one (CID 3104712) is 1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one.
What is the SMILES notation for 1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one?
The canonical SMILES for 1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one is CCCCC(=O)C1CCC(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one?
The InChIKey is ATCGDYBMVWQISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClO/c1-2-3-4-17(19)15-7-5-13(6-8-15)14-9-11-16(18)12-10-14/h9-13,15H,2-8H2,1H3.
What are the key properties of 1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one?
1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one has a molecular weight of 278.82 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-chlorophenyl)cyclohexyl]pentan-1-one is sourced from PubChem (CID 3104712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).