3-[(4-chlorophenyl)methyl]cyclohexan-1-one

C13H15ClO — CID 64519939

IUPAC3-[(4-chlorophenyl)methyl]cyclohexan-1-one
SMILESO=C1CCCC(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H15ClO/c14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11/h4-7,11H,1-3,8-9H2
InChIKeyCRCDIOBFSDLAIJ-UHFFFAOYSA-N
MW222.72 g/mol
LogP3.64
Rot. Bonds2

About 3-[(4-chlorophenyl)methyl]cyclohexan-1-one

3-[(4-chlorophenyl)methyl]cyclohexan-1-one (PubChem CID 64519939) has the molecular formula C13H15ClO and a molecular weight of 222.72 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methyl]cyclohexan-1-one
PubChem CID64519939
Molecular FormulaC13H15ClO
Molecular Weight222.72 g/mol
Exact Mass222.08
IUPAC Name3-[(4-chlorophenyl)methyl]cyclohexan-1-one
SMILESO=C1CCCC(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H15ClO/c14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11/h4-7,11H,1-3,8-9H2
InChIKeyCRCDIOBFSDLAIJ-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.72
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methyl]cyclohexan-1-one?
The IUPAC name of 3-[(4-chlorophenyl)methyl]cyclohexan-1-one (CID 64519939) is 3-[(4-chlorophenyl)methyl]cyclohexan-1-one.
What is the SMILES notation for 3-[(4-chlorophenyl)methyl]cyclohexan-1-one?
The canonical SMILES for 3-[(4-chlorophenyl)methyl]cyclohexan-1-one is O=C1CCCC(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 3-[(4-chlorophenyl)methyl]cyclohexan-1-one?
The InChIKey is CRCDIOBFSDLAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClO/c14-12-6-4-10(5-7-12)8-11-2-1-3-13(15)9-11/h4-7,11H,1-3,8-9H2.
What are the key properties of 3-[(4-chlorophenyl)methyl]cyclohexan-1-one?
3-[(4-chlorophenyl)methyl]cyclohexan-1-one has a molecular weight of 222.72 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methyl]cyclohexan-1-one is sourced from PubChem (CID 64519939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).