(Z)-3-chloro-3-phenylprop-2-enoyl chloride

C9H6Cl2O — CID 13053218

IUPAC(Z)-3-chloro-3-phenylprop-2-enoyl chloride
SMILESO=C(Cl)/C=C(\Cl)c1ccccc1
InChIInChI=1S/C9H6Cl2O/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKeyLNXLTDIDRGQAEL-VURMDHGXSA-N
MW201.05 g/mol
LogP3.03
Rot. Bonds2

About (Z)-3-chloro-3-phenylprop-2-enoyl chloride

(Z)-3-chloro-3-phenylprop-2-enoyl chloride (PubChem CID 13053218) has the molecular formula C9H6Cl2O and a molecular weight of 201.05 g/mol. Its IUPAC name is (Z)-3-chloro-3-phenylprop-2-enoyl chloride.

Molecular Properties

Compound Name(Z)-3-chloro-3-phenylprop-2-enoyl chloride
PubChem CID13053218
Molecular FormulaC9H6Cl2O
Molecular Weight201.05 g/mol
Exact Mass199.98
IUPAC Name(Z)-3-chloro-3-phenylprop-2-enoyl chloride
SMILESO=C(Cl)/C=C(\Cl)c1ccccc1
InChIInChI=1S/C9H6Cl2O/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-6H/b8-6-
InChIKeyLNXLTDIDRGQAEL-VURMDHGXSA-N
XLogP3.03
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 ≤ 53.03
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'}

Analyze (Z)-3-chloro-3-phenylprop-2-enoyl chloride 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

(Z)-3-chloro-1,3-diphenylprop-2-en-1-one
CID 12890118
(Z)-1,4-dichloro-1-phenylpent-1-en-3-one
CID 135077289
1,2-diphenylethane-1,2-dione;iron
CID 70488368
tetrakis(carbonochloridic acid);diphenylmethanone
CID 173240243
benzoyl chloride;selane
CID 174449470
2,3-dioxo-3-phenylpropanoyl chloride
CID 87558488
[(Z)-2-chloro-2-phenylethenyl]phosphonic acid
CID 2249320
bis(2-chloro-2-phenylethenyl)phosphinic acid
CID 71361509
1,2-diphenylethane-1,2-dione;methane;1,1,2,2-tetrachloroethene
CID 88738435
benzoyl chloride;hydrazine
CID 19933227
tetrachloro-(2-chloro-2-phenylethenyl)-λ5-phosphane
CID 71388118
[(1E)-1-chloro-4,4-diphenylbuta-1,3-dienyl]benzene
CID 54610555

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-3-phenylprop-2-enoyl chloride?
The IUPAC name of (Z)-3-chloro-3-phenylprop-2-enoyl chloride (CID 13053218) is (Z)-3-chloro-3-phenylprop-2-enoyl chloride.
What is the SMILES notation for (Z)-3-chloro-3-phenylprop-2-enoyl chloride?
The canonical SMILES for (Z)-3-chloro-3-phenylprop-2-enoyl chloride is O=C(Cl)/C=C(\Cl)c1ccccc1.
What is the InChIKey of (Z)-3-chloro-3-phenylprop-2-enoyl chloride?
The InChIKey is LNXLTDIDRGQAEL-VURMDHGXSA-N. The full InChI is InChI=1S/C9H6Cl2O/c10-8(6-9(11)12)7-4-2-1-3-5-7/h1-6H/b8-6-.
What are the key properties of (Z)-3-chloro-3-phenylprop-2-enoyl chloride?
(Z)-3-chloro-3-phenylprop-2-enoyl chloride has a molecular weight of 201.05 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-3-phenylprop-2-enoyl chloride is sourced from PubChem (CID 13053218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).