(Z)-3-(4-acetylphenyl)prop-2-enoyl chloride

C11H9ClO2 — CID 42611107

IUPAC(Z)-3-(4-acetylphenyl)prop-2-enoyl chloride
SMILESCC(=O)c1ccc(/C=C\C(=O)Cl)cc1
InChIInChI=1S/C11H9ClO2/c1-8(13)10-5-2-9(3-6-10)4-7-11(12)14/h2-7H,1H3/b7-4-
InChIKeySDTCUOOBYGMDSG-DAXSKMNVSA-N
MW208.64 g/mol
LogP2.67
Rot. Bonds3

About (Z)-3-(4-acetylphenyl)prop-2-enoyl chloride

(Z)-3-(4-acetylphenyl)prop-2-enoyl chloride (PubChem CID 42611107) has the molecular formula C11H9ClO2 and a molecular weight of 208.64 g/mol. Its IUPAC name is (Z)-3-(4-acetylphenyl)prop-2-enoyl chloride.

Molecular Properties

Compound Name(Z)-3-(4-acetylphenyl)prop-2-enoyl chloride
PubChem CID42611107
Molecular FormulaC11H9ClO2
Molecular Weight208.64 g/mol
Exact Mass208.03
IUPAC Name(Z)-3-(4-acetylphenyl)prop-2-enoyl chloride
SMILESCC(=O)c1ccc(/C=C\C(=O)Cl)cc1
InChIInChI=1S/C11H9ClO2/c1-8(13)10-5-2-9(3-6-10)4-7-11(12)14/h2-7H,1H3/b7-4-
InChIKeySDTCUOOBYGMDSG-DAXSKMNVSA-N
XLogP2.67
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.64
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

acetic acid;3-(4-acetylphenyl)prop-2-enamide
CID 175181173
(E)-3-(4-chlorophenyl)prop-2-enoyl chloride
CID 11252649
1-[4-(3-hydroxyprop-1-enyl)phenyl]ethanone
CID 135007292
3-(4-acetylphenyl)-1-(1-hydroxypyridin-1-ium-4-yl)prop-2-en-1-one
CID 126959225
1-(4-acetylphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
CID 54081222
(E)-3-(4-acetylphenyl)-N-(2-hydroxyethyl)prop-2-enamide
CID 13364699
(Z)-3-(4-acetylphenyl)prop-2-enenitrile
CID 45085761
(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;1-phenylethanone
CID 160723303
ethane;(E)-3-(4-nitrophenyl)prop-2-enoyl chloride
CID 145020491
CID 139244857
CID 139244857
(4-acetylphenyl) 3-(4-fluorophenyl)prop-2-enoate
CID 917641
4-[(E)-3-(4-acetylanilino)-3-oxoprop-1-enyl]-N-cyclopropylbenzamide
CID 46568917

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-acetylphenyl)prop-2-enoyl chloride?
The IUPAC name of (Z)-3-(4-acetylphenyl)prop-2-enoyl chloride (CID 42611107) is (Z)-3-(4-acetylphenyl)prop-2-enoyl chloride.
What is the SMILES notation for (Z)-3-(4-acetylphenyl)prop-2-enoyl chloride?
The canonical SMILES for (Z)-3-(4-acetylphenyl)prop-2-enoyl chloride is CC(=O)c1ccc(/C=C\C(=O)Cl)cc1.
What is the InChIKey of (Z)-3-(4-acetylphenyl)prop-2-enoyl chloride?
The InChIKey is SDTCUOOBYGMDSG-DAXSKMNVSA-N. The full InChI is InChI=1S/C11H9ClO2/c1-8(13)10-5-2-9(3-6-10)4-7-11(12)14/h2-7H,1H3/b7-4-.
What are the key properties of (Z)-3-(4-acetylphenyl)prop-2-enoyl chloride?
(Z)-3-(4-acetylphenyl)prop-2-enoyl chloride has a molecular weight of 208.64 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-acetylphenyl)prop-2-enoyl chloride is sourced from PubChem (CID 42611107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).