1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one

C12H11ClO3S — CID 62031723

IUPAC1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one
SMILESCC(OCc1ccco1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClO3S/c1-8(16-7-9-3-2-6-15-9)12(14)10-4-5-11(13)17-10/h2-6,8H,7H2,1H3
InChIKeySIUWNOZLDAAPNA-UHFFFAOYSA-N
MW270.74 g/mol
LogP3.78
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one

1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one (PubChem CID 62031723) has the molecular formula C12H11ClO3S and a molecular weight of 270.74 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one
PubChem CID62031723
Molecular FormulaC12H11ClO3S
Molecular Weight270.74 g/mol
Exact Mass270.01
IUPAC Name1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one
SMILESCC(OCc1ccco1)C(=O)c1ccc(Cl)s1
InChIInChI=1S/C12H11ClO3S/c1-8(16-7-9-3-2-6-15-9)12(14)10-4-5-11(13)17-10/h2-6,8H,7H2,1H3
InChIKeySIUWNOZLDAAPNA-UHFFFAOYSA-N
XLogP3.78
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.74
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(5-chlorothiophen-2-yl)-2-(3-methylbutoxy)propan-1-one
CID 43798494
1-(5-chlorothiophen-2-yl)-2-(4-methylpentoxy)propan-1-one
CID 43800457
1-(5-chlorothiophen-2-yl)-2-(cyclohexylmethoxy)propan-1-one
CID 62381541
1-(furan-2-ylmethoxy)ethanol
CID 20517704
(2S)-2-[(5-chlorothiophen-2-yl)methoxy]propanoic acid
CID 104876424
2-(butan-2-yloxymethyl)furan
CID 118563774
2-chloro-1-(5-chlorothiophen-2-yl)propan-1-one
CID 18409467
(1R)-1-(furan-2-ylmethoxy)propane-1,2-diol
CID 69117104
(2R)-3-(5-chlorothiophen-2-yl)-N-(furan-2-ylmethyl)-3-oxo-2-pyridin-1-ium-1-ylpropanimidothioate
CID 135761587
1-(5-chlorothiophen-2-yl)-2-(4-propan-2-ylphenoxy)propan-1-one
CID 43799779
1-(5-chlorothiophen-2-yl)-2-(2,3-dimethylphenoxy)propan-1-one
CID 43799802
1-(5-chlorothiophen-2-yl)-2-cyclobutyloxypropan-1-one
CID 62140850

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one (CID 62031723) is 1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one is CC(OCc1ccco1)C(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one?
The InChIKey is SIUWNOZLDAAPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO3S/c1-8(16-7-9-3-2-6-15-9)12(14)10-4-5-11(13)17-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one?
1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one has a molecular weight of 270.74 g/mol, XLogP of 3.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-2-(furan-2-ylmethoxy)propan-1-one is sourced from PubChem (CID 62031723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).