[(Z)-1-chloro-2-phenylethenyl] acetate

C10H9ClO2 — CID 101229126

IUPAC[(Z)-1-chloro-2-phenylethenyl] acetate
SMILESCC(=O)O/C(Cl)=C/c1ccccc1
InChIInChI=1S/C10H9ClO2/c1-8(12)13-10(11)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
InChIKeySUOMTZAQGVDRBF-JXMROGBWSA-N
MW196.63 g/mol
LogP2.79
Rot. Bonds2

About [(Z)-1-chloro-2-phenylethenyl] acetate

[(Z)-1-chloro-2-phenylethenyl] acetate (PubChem CID 101229126) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is [(Z)-1-chloro-2-phenylethenyl] acetate.

Molecular Properties

Compound Name[(Z)-1-chloro-2-phenylethenyl] acetate
PubChem CID101229126
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name[(Z)-1-chloro-2-phenylethenyl] acetate
SMILESCC(=O)O/C(Cl)=C/c1ccccc1
InChIInChI=1S/C10H9ClO2/c1-8(12)13-10(11)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+
InChIKeySUOMTZAQGVDRBF-JXMROGBWSA-N
XLogP2.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.63
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

[(1E,3E)-3-acetyloxy-1,4-diphenylbuta-1,3-dien-2-yl] acetate
CID 102523704
[(E)-1-chloro-2-phenylethenyl] (E)-3-phenylprop-2-enoate
CID 11173647
(Z)-2-methyl-3-phenylprop-2-enoyl chloride
CID 5355069
[(Z)-3-chloro-4-phenylbut-3-en-2-yl] acetate
CID 10823055
[(1E,3Z)-3-chloro-4-phenylbuta-1,3-dienyl] acetate
CID 125475083
(E)-3-methyl-2-oxo-4-phenylbut-3-enoic acid
CID 15110556
acetyl 3-phenylprop-2-enoate
CID 57206996
acetyl chloride;benzaldehyde
CID 88812659
(2-methyl-3-phenylprop-2-enyl) acetate
CID 3085847
[(2R)-3-methyl-4-phenylbut-3-en-2-yl] acetate
CID 57372595
2,2,2-trifluoroethyl (Z)-2-acetyloxy-3-phenylprop-2-enoate
CID 102380610
[(Z)-1-(4-methylphenyl)-3-oxo-3-phenylprop-1-en-2-yl] acetate
CID 132576918

Frequently Asked Questions

What is the IUPAC name of [(Z)-1-chloro-2-phenylethenyl] acetate?
The IUPAC name of [(Z)-1-chloro-2-phenylethenyl] acetate (CID 101229126) is [(Z)-1-chloro-2-phenylethenyl] acetate.
What is the SMILES notation for [(Z)-1-chloro-2-phenylethenyl] acetate?
The canonical SMILES for [(Z)-1-chloro-2-phenylethenyl] acetate is CC(=O)O/C(Cl)=C/c1ccccc1.
What is the InChIKey of [(Z)-1-chloro-2-phenylethenyl] acetate?
The InChIKey is SUOMTZAQGVDRBF-JXMROGBWSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-8(12)13-10(11)7-9-5-3-2-4-6-9/h2-7H,1H3/b10-7+.
What are the key properties of [(Z)-1-chloro-2-phenylethenyl] acetate?
[(Z)-1-chloro-2-phenylethenyl] acetate has a molecular weight of 196.63 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-1-chloro-2-phenylethenyl] acetate is sourced from PubChem (CID 101229126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).