3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one

C13H13ClO2 — CID 146166065

IUPAC3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one
SMILESCOC1=C(c2ccccc2Cl)CCCC1=O
InChIInChI=1S/C13H13ClO2/c1-16-13-10(6-4-8-12(13)15)9-5-2-3-7-11(9)14/h2-3,5,7H,4,6,8H2,1H3
InChIKeyLPYQFJLVHXNFDP-UHFFFAOYSA-N
MW236.70 g/mol
LogP3.45
Rot. Bonds2

About 3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one

3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one (PubChem CID 146166065) has the molecular formula C13H13ClO2 and a molecular weight of 236.70 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one
PubChem CID146166065
Molecular FormulaC13H13ClO2
Molecular Weight236.70 g/mol
Exact Mass236.06
IUPAC Name3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one
SMILESCOC1=C(c2ccccc2Cl)CCCC1=O
InChIInChI=1S/C13H13ClO2/c1-16-13-10(6-4-8-12(13)15)9-5-2-3-7-11(9)14/h2-3,5,7H,4,6,8H2,1H3
InChIKeyLPYQFJLVHXNFDP-UHFFFAOYSA-N
XLogP3.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one?
The IUPAC name of 3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one (CID 146166065) is 3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one.
What is the SMILES notation for 3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one?
The canonical SMILES for 3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one is COC1=C(c2ccccc2Cl)CCCC1=O.
What is the InChIKey of 3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one?
The InChIKey is LPYQFJLVHXNFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClO2/c1-16-13-10(6-4-8-12(13)15)9-5-2-3-7-11(9)14/h2-3,5,7H,4,6,8H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one?
3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one has a molecular weight of 236.70 g/mol, XLogP of 3.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2-methoxycyclohex-2-en-1-one is sourced from PubChem (CID 146166065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).