(Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one

C13H9ClOS — CID 92857757

IUPAC(Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C\c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClOS/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H/b8-7-
InChIKeyJOYGXTIHTHBSOA-FPLPWBNLSA-N
MW248.73 g/mol
LogP4.30
Rot. Bonds3

About (Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one

(Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 92857757) has the molecular formula C13H9ClOS and a molecular weight of 248.73 g/mol. Its IUPAC name is (Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one
PubChem CID92857757
Molecular FormulaC13H9ClOS
Molecular Weight248.73 g/mol
Exact Mass248.01
IUPAC Name(Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one
SMILESO=C(/C=C\c1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C13H9ClOS/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H/b8-7-
InChIKeyJOYGXTIHTHBSOA-FPLPWBNLSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.73
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 53405742
4-chloro-N'-[(E)-3-thiophen-2-ylprop-2-enoyl]benzohydrazide
CID 922928
(E)-3-thiophen-2-yl-1-[4-[4-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenoxy]butoxy]phenyl]prop-2-en-1-one
CID 139219860
(E)-3-thiophen-2-yl-1-[4-[3-[4-[(E)-3-thiophen-2-ylprop-2-enoyl]phenoxy]propoxy]phenyl]prop-2-en-1-one
CID 139219859
[4-[(Z)-3-thiophen-2-ylprop-2-enoyl]phenyl] 2,5-dichlorobenzenesulfonate
CID 92948707
[2-(4-chlorophenyl)-2-oxoethyl] (E)-3-thiophen-2-ylprop-2-enoate
CID 921834
(E)-1-(3,5-dihydroxyphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 74983119
(E)-1-[4-(2-chloroprop-2-enoxy)phenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 52694949
(E)-1-[4-(6-chloroquinoxalin-2-yl)oxyphenyl]-3-thiophen-2-ylprop-2-en-1-one
CID 138404247
[4-(3-thiophen-2-ylprop-2-enoyl)phenyl] 4-bromobenzoate
CID 3547433
(E)-1-(4-imidazol-1-ylphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 19541191
1-(4-pyrrolidin-1-ylsulfonylphenyl)-3-thiophen-2-ylprop-2-en-1-one
CID 4242357

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one (CID 92857757) is (Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one is O=C(/C=C\c1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is JOYGXTIHTHBSOA-FPLPWBNLSA-N. The full InChI is InChI=1S/C13H9ClOS/c14-11-5-3-10(4-6-11)13(15)8-7-12-2-1-9-16-12/h1-9H/b8-7-.
What are the key properties of (Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one?
(Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 248.73 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(4-chlorophenyl)-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 92857757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).