[(E)-2-(4-chlorophenyl)ethenyl] acetate

C10H9ClO2 — CID 102224059

IUPAC[(E)-2-(4-chlorophenyl)ethenyl] acetate
SMILESCC(=O)O/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO2/c1-8(12)13-7-6-9-2-4-10(11)5-3-9/h2-7H,1H3/b7-6+
InChIKeyGMTZUQWIHQNERM-VOTSOKGWSA-N
MW196.63 g/mol
LogP2.87
Rot. Bonds2

About [(E)-2-(4-chlorophenyl)ethenyl] acetate

[(E)-2-(4-chlorophenyl)ethenyl] acetate (PubChem CID 102224059) has the molecular formula C10H9ClO2 and a molecular weight of 196.63 g/mol. Its IUPAC name is [(E)-2-(4-chlorophenyl)ethenyl] acetate.

Molecular Properties

Compound Name[(E)-2-(4-chlorophenyl)ethenyl] acetate
PubChem CID102224059
Molecular FormulaC10H9ClO2
Molecular Weight196.63 g/mol
Exact Mass196.03
IUPAC Name[(E)-2-(4-chlorophenyl)ethenyl] acetate
SMILESCC(=O)O/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C10H9ClO2/c1-8(12)13-7-6-9-2-4-10(11)5-3-9/h2-7H,1H3/b7-6+
InChIKeyGMTZUQWIHQNERM-VOTSOKGWSA-N
XLogP2.87
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 ≤ 52.87
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

2-(4-ethenylphenyl)ethenyl acetate
CID 66777541
2-nitroethenylbenzene;2-phenylethenyl acetate
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[(4-chlorophenyl)methylideneamino] acetate
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[4-[(E)-3-(4-chlorophenyl)-3-oxoprop-1-enyl]phenyl] acetate
CID 139234412
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
methyl (E)-4-(4-chlorophenyl)-2-oxobut-3-enoate
CID 11736256
propan-2-yl 3-(4-chlorophenyl)prop-2-enoate
CID 2755677
(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver
CID 88781807
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
(E)-3-(4-chlorophenyl)prop-2-enoyl bromide
CID 19079844
CID 59090945
CID 59090945
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427

Frequently Asked Questions

What is the IUPAC name of [(E)-2-(4-chlorophenyl)ethenyl] acetate?
The IUPAC name of [(E)-2-(4-chlorophenyl)ethenyl] acetate (CID 102224059) is [(E)-2-(4-chlorophenyl)ethenyl] acetate.
What is the SMILES notation for [(E)-2-(4-chlorophenyl)ethenyl] acetate?
The canonical SMILES for [(E)-2-(4-chlorophenyl)ethenyl] acetate is CC(=O)O/C=C/c1ccc(Cl)cc1.
What is the InChIKey of [(E)-2-(4-chlorophenyl)ethenyl] acetate?
The InChIKey is GMTZUQWIHQNERM-VOTSOKGWSA-N. The full InChI is InChI=1S/C10H9ClO2/c1-8(12)13-7-6-9-2-4-10(11)5-3-9/h2-7H,1H3/b7-6+.
What are the key properties of [(E)-2-(4-chlorophenyl)ethenyl] acetate?
[(E)-2-(4-chlorophenyl)ethenyl] acetate has a molecular weight of 196.63 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-(4-chlorophenyl)ethenyl] acetate is sourced from PubChem (CID 102224059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).