(E)-3-(4-chlorophenyl)prop-2-enoyl chloride

C9H6Cl2O — CID 11252649

IUPAC(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
SMILESO=C(Cl)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C9H6Cl2O/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H/b6-3+
InChIKeyZFOVCSTVYYYRSU-ZZXKWVIFSA-N
MW201.05 g/mol
LogP3.12
Rot. Bonds2

About (E)-3-(4-chlorophenyl)prop-2-enoyl chloride

(E)-3-(4-chlorophenyl)prop-2-enoyl chloride (PubChem CID 11252649) has the molecular formula C9H6Cl2O and a molecular weight of 201.05 g/mol. Its IUPAC name is (E)-3-(4-chlorophenyl)prop-2-enoyl chloride.

Molecular Properties

Compound Name(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
PubChem CID11252649
Molecular FormulaC9H6Cl2O
Molecular Weight201.05 g/mol
Exact Mass199.98
IUPAC Name(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
SMILESO=C(Cl)/C=C/c1ccc(Cl)cc1
InChIInChI=1S/C9H6Cl2O/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H/b6-3+
InChIKeyZFOVCSTVYYYRSU-ZZXKWVIFSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.05
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-3-(4-chlorophenyl)prop-2-enoic acid;silver
CID 88781807
CID 59090945
CID 59090945
(Z)-3-(4-chlorophenyl)prop-2-enamide
CID 25021411
(E)-3-(4-chlorophenyl)prop-2-enoyl bromide
CID 19079844
zinc bis(3-(4-chlorophenyl)prop-2-enoate)
CID 158446938
(Z)-3-(4-acetylphenyl)prop-2-enoyl chloride
CID 42611107
(E)-4-(4-chlorophenyl)-1-hydroxybut-3-en-2-one
CID 176797692
sodium 4-(4-chlorophenyl)-2-oxobut-3-enoate
CID 130429832
3-(4-chlorophenyl)-N-methylprop-2-enamide
CID 4142427
(E)-3-[4-[2-[4-[(E)-3-chloro-3-oxoprop-1-enyl]phenoxy]ethoxy]phenyl]prop-2-enoyl chloride
CID 102169357
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
(E)-1-(4-chlorophenyl)-4-hydroxy-4-methylpent-1-en-3-one
CID 794751

Frequently Asked Questions

What is the IUPAC name of (E)-3-(4-chlorophenyl)prop-2-enoyl chloride?
The IUPAC name of (E)-3-(4-chlorophenyl)prop-2-enoyl chloride (CID 11252649) is (E)-3-(4-chlorophenyl)prop-2-enoyl chloride.
What is the SMILES notation for (E)-3-(4-chlorophenyl)prop-2-enoyl chloride?
The canonical SMILES for (E)-3-(4-chlorophenyl)prop-2-enoyl chloride is O=C(Cl)/C=C/c1ccc(Cl)cc1.
What is the InChIKey of (E)-3-(4-chlorophenyl)prop-2-enoyl chloride?
The InChIKey is ZFOVCSTVYYYRSU-ZZXKWVIFSA-N. The full InChI is InChI=1S/C9H6Cl2O/c10-8-4-1-7(2-5-8)3-6-9(11)12/h1-6H/b6-3+.
What are the key properties of (E)-3-(4-chlorophenyl)prop-2-enoyl chloride?
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride has a molecular weight of 201.05 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(4-chlorophenyl)prop-2-enoyl chloride is sourced from PubChem (CID 11252649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).