1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one

C14H13ClO2S — CID 114000854

IUPAC1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one
SMILESCc1occc1SC(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClO2S/c1-9-13(7-8-17-9)18-10(2)14(16)11-3-5-12(15)6-4-11/h3-8,10H,1-2H3
InChIKeyPNDAENCSXMLUSL-UHFFFAOYSA-N
MW280.78 g/mol
LogP4.60
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one

1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one (PubChem CID 114000854) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one
PubChem CID114000854
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one
SMILESCc1occc1SC(C)C(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H13ClO2S/c1-9-13(7-8-17-9)18-10(2)14(16)11-3-5-12(15)6-4-11/h3-8,10H,1-2H3
InChIKeyPNDAENCSXMLUSL-UHFFFAOYSA-N
XLogP4.60
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-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

1-(3,4-dimethylphenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one
CID 107781187
1-(4-chlorophenyl)-2-(2,5-dichlorophenyl)sulfanylpropan-1-one
CID 43414073
2-(4-chlorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43413028
1-(4-chlorophenyl)-2-(2,4-difluorophenyl)sulfanylpropan-1-one
CID 43224788
(2R)-1-(4-chlorophenyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpropan-1-one
CID 8535342
1-(4-chlorophenyl)-2-(2,3-dihydroxypropylsulfanyl)propan-1-one
CID 79670711
1-(4-chlorophenyl)-2-thiophen-2-ylsulfanylpropan-1-one
CID 43801868
1-(4-chlorophenyl)-2-(3-hydroxy-2-methylpropyl)sulfanylpropan-1-one
CID 66104075
2-butan-2-ylsulfanyl-1-(4-chlorophenyl)propan-1-one
CID 43412517
(2R)-N-butyl-2-(2-methylfuran-3-yl)sulfanylpropanamide
CID 99630869
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43224877
3-(4-chlorophenyl)-2-methyl-3-oxopropanal
CID 175484761

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one?
The IUPAC name of 1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one (CID 114000854) is 1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one?
The canonical SMILES for 1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one is Cc1occc1SC(C)C(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one?
The InChIKey is PNDAENCSXMLUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-9-13(7-8-17-9)18-10(2)14(16)11-3-5-12(15)6-4-11/h3-8,10H,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one?
1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one has a molecular weight of 280.78 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(2-methylfuran-3-yl)sulfanylpropan-1-one is sourced from PubChem (CID 114000854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).