4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one

C24H28O2 — CID 123501452

IUPAC4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one
SMILESO=C1CC(C2CCCCC2)CC1Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H28O2/c25-24-17-20(19-7-3-1-4-8-19)16-21(24)15-18-11-13-23(14-12-18)26-22-9-5-2-6-10-22/h2,5-6,9-14,19-21H,1,3-4,7-8,15-17H2
InChIKeyVLPRJMCMODGAOD-UHFFFAOYSA-N
MW348.49 g/mol
LogP6.20
Rot. Bonds5

About 4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one

4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one (PubChem CID 123501452) has the molecular formula C24H28O2 and a molecular weight of 348.49 g/mol. Its IUPAC name is 4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one.

Molecular Properties

Compound Name4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one
PubChem CID123501452
Molecular FormulaC24H28O2
Molecular Weight348.49 g/mol
Exact Mass348.21
IUPAC Name4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one
SMILESO=C1CC(C2CCCCC2)CC1Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C24H28O2/c25-24-17-20(19-7-3-1-4-8-19)16-21(24)15-18-11-13-23(14-12-18)26-22-9-5-2-6-10-22/h2,5-6,9-14,19-21H,1,3-4,7-8,15-17H2
InChIKeyVLPRJMCMODGAOD-UHFFFAOYSA-N
XLogP6.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.49
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one?
The IUPAC name of 4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one (CID 123501452) is 4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one.
What is the SMILES notation for 4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one?
The canonical SMILES for 4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one is O=C1CC(C2CCCCC2)CC1Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one?
The InChIKey is VLPRJMCMODGAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28O2/c25-24-17-20(19-7-3-1-4-8-19)16-21(24)15-18-11-13-23(14-12-18)26-22-9-5-2-6-10-22/h2,5-6,9-14,19-21H,1,3-4,7-8,15-17H2.
What are the key properties of 4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one?
4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one has a molecular weight of 348.49 g/mol, XLogP of 6.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-2-[(4-phenoxyphenyl)methyl]cyclopentan-1-one is sourced from PubChem (CID 123501452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).