3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one

C13H13ClO — CID 65172349

IUPAC3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one
SMILESO=C1C=C(Cc2ccccc2Cl)CCC1
InChIInChI=1S/C13H13ClO/c14-13-7-2-1-5-11(13)8-10-4-3-6-12(15)9-10/h1-2,5,7,9H,3-4,6,8H2
InChIKeyFXPCQXFTXBTOEK-UHFFFAOYSA-N
MW220.70 g/mol
LogP3.56
Rot. Bonds2

About 3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one

3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one (PubChem CID 65172349) has the molecular formula C13H13ClO and a molecular weight of 220.70 g/mol. Its IUPAC name is 3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one.

Molecular Properties

Compound Name3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one
PubChem CID65172349
Molecular FormulaC13H13ClO
Molecular Weight220.70 g/mol
Exact Mass220.07
IUPAC Name3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one
SMILESO=C1C=C(Cc2ccccc2Cl)CCC1
InChIInChI=1S/C13H13ClO/c14-13-7-2-1-5-11(13)8-10-4-3-6-12(15)9-10/h1-2,5,7,9H,3-4,6,8H2
InChIKeyFXPCQXFTXBTOEK-UHFFFAOYSA-N
XLogP3.56
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.70
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one?
The IUPAC name of 3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one (CID 65172349) is 3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one.
What is the SMILES notation for 3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one?
The canonical SMILES for 3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one is O=C1C=C(Cc2ccccc2Cl)CCC1.
What is the InChIKey of 3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one?
The InChIKey is FXPCQXFTXBTOEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO/c14-13-7-2-1-5-11(13)8-10-4-3-6-12(15)9-10/h1-2,5,7,9H,3-4,6,8H2.
What are the key properties of 3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one?
3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one has a molecular weight of 220.70 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chlorophenyl)methyl]cyclohex-2-en-1-one is sourced from PubChem (CID 65172349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).