bis[1-(4-chlorophenyl)cyclohexyl]methanone

C25H28Cl2O — CID 139779969

IUPACbis[1-(4-chlorophenyl)cyclohexyl]methanone
SMILESO=C(C1(c2ccc(Cl)cc2)CCCCC1)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C25H28Cl2O/c26-21-11-7-19(8-12-21)24(15-3-1-4-16-24)23(28)25(17-5-2-6-18-25)20-9-13-22(27)14-10-20/h7-14H,1-6,15-18H2
InChIKeyGLBCPDNJUVHBHQ-UHFFFAOYSA-N
MW415.40 g/mol
LogP7.67
Rot. Bonds4

About bis[1-(4-chlorophenyl)cyclohexyl]methanone

bis[1-(4-chlorophenyl)cyclohexyl]methanone (PubChem CID 139779969) has the molecular formula C25H28Cl2O and a molecular weight of 415.40 g/mol. Its IUPAC name is bis[1-(4-chlorophenyl)cyclohexyl]methanone.

Molecular Properties

Compound Namebis[1-(4-chlorophenyl)cyclohexyl]methanone
PubChem CID139779969
Molecular FormulaC25H28Cl2O
Molecular Weight415.40 g/mol
Exact Mass414.15
IUPAC Namebis[1-(4-chlorophenyl)cyclohexyl]methanone
SMILESO=C(C1(c2ccc(Cl)cc2)CCCCC1)C1(c2ccc(Cl)cc2)CCCCC1
InChIInChI=1S/C25H28Cl2O/c26-21-11-7-19(8-12-21)24(15-3-1-4-16-24)23(28)25(17-5-2-6-18-25)20-9-13-22(27)14-10-20/h7-14H,1-6,15-18H2
InChIKeyGLBCPDNJUVHBHQ-UHFFFAOYSA-N
XLogP7.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.40
LogP ≤ 57.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-chlorophenyl)-N-ethylcyclohexane-1-carboxamide
CID 118534759
1-(4-chlorophenyl)cyclopropane-1-carbonyl fluoride
CID 20724884
1-(4-chlorophenyl)-N-phenylcyclopentane-1-carboxamide
CID 22236982
1-[1-(4-chlorophenyl)cyclobutyl]-2-piperidin-1-ium-1-ylethanone
CID 144796652
2-(dimethylamino)propan-2-yl 1-(4-chlorophenyl)cyclopentane-1-carboxylate
CID 138454500
[1-(4-chlorophenyl)cyclopentyl]-piperazin-1-ylmethanone;hydrochloride
CID 119401297
bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone
CID 69181796
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 120657064
1-[1-(4-chlorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119355153
1-(4-chlorophenyl)-N-[(2R)-1-hydroxypropan-2-yl]cyclopentane-1-carboxamide
CID 97185327
1-(4-chlorophenyl)-N-(4-hydroxycyclohexyl)cyclopentane-1-carboxamide
CID 78767408
[(3R)-3-aminopyrrolidin-1-yl]-[1-(4-chlorophenyl)cyclohexyl]methanone;hydrochloride
CID 119409853

Frequently Asked Questions

What is the IUPAC name of bis[1-(4-chlorophenyl)cyclohexyl]methanone?
The IUPAC name of bis[1-(4-chlorophenyl)cyclohexyl]methanone (CID 139779969) is bis[1-(4-chlorophenyl)cyclohexyl]methanone.
What is the SMILES notation for bis[1-(4-chlorophenyl)cyclohexyl]methanone?
The canonical SMILES for bis[1-(4-chlorophenyl)cyclohexyl]methanone is O=C(C1(c2ccc(Cl)cc2)CCCCC1)C1(c2ccc(Cl)cc2)CCCCC1.
What is the InChIKey of bis[1-(4-chlorophenyl)cyclohexyl]methanone?
The InChIKey is GLBCPDNJUVHBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28Cl2O/c26-21-11-7-19(8-12-21)24(15-3-1-4-16-24)23(28)25(17-5-2-6-18-25)20-9-13-22(27)14-10-20/h7-14H,1-6,15-18H2.
What are the key properties of bis[1-(4-chlorophenyl)cyclohexyl]methanone?
bis[1-(4-chlorophenyl)cyclohexyl]methanone has a molecular weight of 415.40 g/mol, XLogP of 7.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis[1-(4-chlorophenyl)cyclohexyl]methanone is sourced from PubChem (CID 139779969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).