[(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate

C12H13ClO2 — CID 10823055

IUPAC[(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate
SMILESCC(=O)OC(C)/C(Cl)=C/c1ccccc1
InChIInChI=1S/C12H13ClO2/c1-9(15-10(2)14)12(13)8-11-6-4-3-5-7-11/h3-9H,1-2H3/b12-8-
InChIKeyGKTOYWCRPHDMCX-WQLSENKSSA-N
MW224.69 g/mol
LogP3.22
Rot. Bonds3

About [(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate

[(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate (PubChem CID 10823055) has the molecular formula C12H13ClO2 and a molecular weight of 224.69 g/mol. Its IUPAC name is [(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate.

Molecular Properties

Compound Name[(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate
PubChem CID10823055
Molecular FormulaC12H13ClO2
Molecular Weight224.69 g/mol
Exact Mass224.06
IUPAC Name[(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate
SMILESCC(=O)OC(C)/C(Cl)=C/c1ccccc1
InChIInChI=1S/C12H13ClO2/c1-9(15-10(2)14)12(13)8-11-6-4-3-5-7-11/h3-9H,1-2H3/b12-8-
InChIKeyGKTOYWCRPHDMCX-WQLSENKSSA-N
XLogP3.22
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze [(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2R)-3-methyl-4-phenylbut-3-en-2-yl] acetate
CID 57372595
[(Z)-1-chloro-2-phenylethenyl] acetate
CID 101229126
[(1E,3Z)-3-chloro-4-phenylbuta-1,3-dienyl] acetate
CID 125475083
diethyl 2-[(Z)-3-chloro-4-phenylbut-3-en-2-yl]propanedioate
CID 10687468
(Z)-2-methyl-3-phenylprop-2-enoyl chloride
CID 5355069
(Z)-3-chloro-N,N-dimethyl-4-phenylbut-3-en-2-amine
CID 100948034
[(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate
CID 102523704
[(3R,5Z)-5-bromo-6-phenylhexa-1,5-dien-3-yl] acetate
CID 102255973
(1-phenyl-1-sulfanylidenepropan-2-yl) acetate
CID 173407900
(2-chloro-3,3-difluoroprop-1-enyl)benzene
CID 175913510
[(E,2S)-1,1,1-trichloro-4-phenylbut-3-en-2-yl] acetate
CID 11808513
[(2S)-1-anilino-1-oxopropan-2-yl] acetate
CID 7000051

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate?
The IUPAC name of [(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate (CID 10823055) is [(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate.
What is the SMILES notation for [(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate?
The canonical SMILES for [(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate is CC(=O)OC(C)/C(Cl)=C/c1ccccc1.
What is the InChIKey of [(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate?
The InChIKey is GKTOYWCRPHDMCX-WQLSENKSSA-N. The full InChI is InChI=1S/C12H13ClO2/c1-9(15-10(2)14)12(13)8-11-6-4-3-5-7-11/h3-9H,1-2H3/b12-8-.
What are the key properties of [(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate?
[(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate has a molecular weight of 224.69 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate is sourced from PubChem (CID 10823055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).