(Z)-4-(2-chlorophenyl)but-3-en-2-one

C10H9ClO — CID 23273586

IUPAC(Z)-4-(2-chlorophenyl)but-3-en-2-one
SMILESCC(=O)/C=C\c1ccccc1Cl
InChIInChI=1S/C10H9ClO/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-7H,1H3/b7-6-
InChIKeyFHDSETHROOWFCQ-SREVYHEPSA-N
MW180.63 g/mol
LogP2.94
Rot. Bonds2

About (Z)-4-(2-chlorophenyl)but-3-en-2-one

(Z)-4-(2-chlorophenyl)but-3-en-2-one (PubChem CID 23273586) has the molecular formula C10H9ClO and a molecular weight of 180.63 g/mol. Its IUPAC name is (Z)-4-(2-chlorophenyl)but-3-en-2-one.

Molecular Properties

Compound Name(Z)-4-(2-chlorophenyl)but-3-en-2-one
PubChem CID23273586
Molecular FormulaC10H9ClO
Molecular Weight180.63 g/mol
Exact Mass180.03
IUPAC Name(Z)-4-(2-chlorophenyl)but-3-en-2-one
SMILESCC(=O)/C=C\c1ccccc1Cl
InChIInChI=1S/C10H9ClO/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-7H,1H3/b7-6-
InChIKeyFHDSETHROOWFCQ-SREVYHEPSA-N
XLogP2.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.63
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (Z)-4-(2-chlorophenyl)but-3-en-2-one 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

ethane;4-[2-(3-oxobut-1-enyl)phenyl]but-3-en-2-one
CID 91253043
(E)-3-(2-chlorophenyl)prop-2-enoic acid
CID 700642
(E)-4-(2-hydroxyphenyl)but-3-en-2-one
CID 5356585
(E)-1,3-bis(2-chlorophenyl)prop-2-en-1-one
CID 5388429
(E)-3-(2-chlorophenyl)-1-cyclopenta-2,4-dien-1-ylprop-2-en-1-one
CID 12072432
(Z)-4-(2,6-dichlorophenyl)but-3-en-2-one
CID 42556106
amino (E)-3-(2-chlorophenyl)prop-2-enoate
CID 10012953
(Z)-4-(2-chlorophenyl)-1,1,1-trifluorobut-3-en-2-one
CID 23274147
(E)-3-[2-[(E)-3-oxobut-1-enyl]phenyl]prop-2-enal
CID 101375200
(E)-4-(2-nitrophenyl)but-3-en-2-one
CID 5363790
2-[(E)-4-(2-chlorophenyl)but-3-en-2-ylidene]propanedinitrile
CID 139082154
3-(2-chlorophenyl)-N-(3-methylbutyl)prop-2-enamide
CID 2905028

Frequently Asked Questions

What is the IUPAC name of (Z)-4-(2-chlorophenyl)but-3-en-2-one?
The IUPAC name of (Z)-4-(2-chlorophenyl)but-3-en-2-one (CID 23273586) is (Z)-4-(2-chlorophenyl)but-3-en-2-one.
What is the SMILES notation for (Z)-4-(2-chlorophenyl)but-3-en-2-one?
The canonical SMILES for (Z)-4-(2-chlorophenyl)but-3-en-2-one is CC(=O)/C=C\c1ccccc1Cl.
What is the InChIKey of (Z)-4-(2-chlorophenyl)but-3-en-2-one?
The InChIKey is FHDSETHROOWFCQ-SREVYHEPSA-N. The full InChI is InChI=1S/C10H9ClO/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-7H,1H3/b7-6-.
What are the key properties of (Z)-4-(2-chlorophenyl)but-3-en-2-one?
(Z)-4-(2-chlorophenyl)but-3-en-2-one has a molecular weight of 180.63 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-(2-chlorophenyl)but-3-en-2-one is sourced from PubChem (CID 23273586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).