(Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one

C12H9ClO2S — CID 16657925

IUPAC(Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCc1ccc(C(=O)/C(Cl)=C/c2cccs2)o1
InChIInChI=1S/C12H9ClO2S/c1-8-4-5-11(15-8)12(14)10(13)7-9-3-2-6-16-9/h2-7H,1H3/b10-7-
InChIKeyTZOPBZSECJOMQF-YFHOEESVSA-N
MW252.72 g/mol
LogP4.11
Rot. Bonds3

About (Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one

(Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one (PubChem CID 16657925) has the molecular formula C12H9ClO2S and a molecular weight of 252.72 g/mol. Its IUPAC name is (Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one.

Molecular Properties

Compound Name(Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one
PubChem CID16657925
Molecular FormulaC12H9ClO2S
Molecular Weight252.72 g/mol
Exact Mass252.00
IUPAC Name(Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one
SMILESCc1ccc(C(=O)/C(Cl)=C/c2cccs2)o1
InChIInChI=1S/C12H9ClO2S/c1-8-4-5-11(15-8)12(14)10(13)7-9-3-2-6-16-9/h2-7H,1H3/b10-7-
InChIKeyTZOPBZSECJOMQF-YFHOEESVSA-N
XLogP4.11
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.72
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_one_hal(17)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(E)-2-chloro-3-thiophen-2-ylprop-2-enoic acid
CID 88503797
1-(5-methylfuran-2-yl)-2-thiophen-2-ylethanone
CID 61056697
2-[(Z)-2-chloro-2-[(S)-methylsulfinyl]ethenyl]thiophene
CID 124725146
5-methyl-N-[(S)-phenyl(thiophen-2-yl)methyl]furan-2-carboxamide
CID 25437940
2-[(E)-2-chloro-2-(4-methylphenyl)sulfinylethenyl]thiophene
CID 102532992
2-[(Z)-2-chloro-2-[(S)-(4-methylphenyl)sulfinyl]ethenyl]thiophene
CID 11033348
2-(thiophen-2-ylmethylidene)propanedioic acid
CID 4714957
(E)-2-cyano-3-thiophen-2-ylprop-2-enoyl chloride
CID 15335281
2-(thiophen-2-ylmethylidene)propanediamide
CID 5079332
(E)-N,N,2-trimethyl-3-thiophen-2-ylprop-2-enamide
CID 14383806
(E)-2-amino-3-thiophen-2-ylprop-2-enoic acid
CID 104830865
methyl (Z)-2-hydroxy-3-thiophen-2-ylprop-2-enoate
CID 52985524

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The IUPAC name of (Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one (CID 16657925) is (Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one.
What is the SMILES notation for (Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The canonical SMILES for (Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one is Cc1ccc(C(=O)/C(Cl)=C/c2cccs2)o1.
What is the InChIKey of (Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
The InChIKey is TZOPBZSECJOMQF-YFHOEESVSA-N. The full InChI is InChI=1S/C12H9ClO2S/c1-8-4-5-11(15-8)12(14)10(13)7-9-3-2-6-16-9/h2-7H,1H3/b10-7-.
What are the key properties of (Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one?
(Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one has a molecular weight of 252.72 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-1-(5-methylfuran-2-yl)-3-thiophen-2-ylprop-2-en-1-one is sourced from PubChem (CID 16657925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).