3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one

C14H15ClO2 — CID 10538683

IUPAC3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one
SMILESCCOC1=C(c2ccc(Cl)cc2)CCCC1=O
InChIInChI=1S/C14H15ClO2/c1-2-17-14-12(4-3-5-13(14)16)10-6-8-11(15)9-7-10/h6-9H,2-5H2,1H3
InChIKeyUHPPQXHLZHKOCL-UHFFFAOYSA-N
MW250.72 g/mol
LogP3.84
Rot. Bonds3

About 3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one

3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one (PubChem CID 10538683) has the molecular formula C14H15ClO2 and a molecular weight of 250.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one
PubChem CID10538683
Molecular FormulaC14H15ClO2
Molecular Weight250.72 g/mol
Exact Mass250.08
IUPAC Name3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one
SMILESCCOC1=C(c2ccc(Cl)cc2)CCCC1=O
InChIInChI=1S/C14H15ClO2/c1-2-17-14-12(4-3-5-13(14)16)10-6-8-11(15)9-7-10/h6-9H,2-5H2,1H3
InChIKeyUHPPQXHLZHKOCL-UHFFFAOYSA-N
XLogP3.84
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.72
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Ethyl 4-(4-chlorophenyl)-2,4-dioxobutanoate
CID 602482
Ethyl 4-chlorobenzoylformate
CID 2758815
2-(4-chlorophenyl)-2-oxoethyl 4,6-dimethyl-2-oxo-2H-pyran-5-carboxylate
CID 739576
1-[5-acetyl-4-(4-chlorophenyl)-2,6-dimethyl-4H-pyran-3-yl]ethanone
CID 15342867
Ethyl 2-(4-chlorobenzyl)acetoacetate
CID 2757404
5-(4-Chlorophenyl)-3-hydroxycyclohex-2-en-1-one
CID 3366869
Ethyl 4-chloro-3-fluorobenzoylformate
CID 2758819
Ethyl 4-(4-chlorophenyl)-2-oxobutanoate
CID 13201328
2-[(4-Chlorophenyl)methyl]-3-hydroxy-6-methylpyran-4-one
CID 145988250
1-(4-Chlorophenyl)-2,2-diethoxyethan-1-one
CID 3016855
1-(4-Chlorophenyl)-2-methoxyethanone
CID 318409
2-(4-Chlorophenyl)-2-oxoethyl acetate
CID 587254

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one?
The IUPAC name of 3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one (CID 10538683) is 3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one?
The canonical SMILES for 3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one is CCOC1=C(c2ccc(Cl)cc2)CCCC1=O.
What is the InChIKey of 3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one?
The InChIKey is UHPPQXHLZHKOCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO2/c1-2-17-14-12(4-3-5-13(14)16)10-6-8-11(15)9-7-10/h6-9H,2-5H2,1H3.
What are the key properties of 3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one?
3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one has a molecular weight of 250.72 g/mol, XLogP of 3.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-2-ethoxycyclohex-2-en-1-one is sourced from PubChem (CID 10538683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).