(5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone

C12H11ClO2S — CID 102762955

IUPAC(5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)c2cc(C)c(Cl)s2)o1
InChIInChI=1S/C12H11ClO2S/c1-3-8-4-5-9(15-8)11(14)10-6-7(2)12(13)16-10/h4-6H,3H2,1-2H3
InChIKeyPGBFWAOJQMYKCI-UHFFFAOYSA-N
MW254.74 g/mol
LogP4.10
Rot. Bonds3

About (5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone

(5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone (PubChem CID 102762955) has the molecular formula C12H11ClO2S and a molecular weight of 254.74 g/mol. Its IUPAC name is (5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone.

Molecular Properties

Compound Name(5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
PubChem CID102762955
Molecular FormulaC12H11ClO2S
Molecular Weight254.74 g/mol
Exact Mass254.02
IUPAC Name(5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
SMILESCCc1ccc(C(=O)c2cc(C)c(Cl)s2)o1
InChIInChI=1S/C12H11ClO2S/c1-3-8-4-5-9(15-8)11(14)10-6-7(2)12(13)16-10/h4-6H,3H2,1-2H3
InChIKeyPGBFWAOJQMYKCI-UHFFFAOYSA-N
XLogP4.10
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5-chloro-4-methylthiophen-2-yl)-(5-methylfuran-2-yl)methanone
CID 102762834
(4-bromo-5-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone
CID 102826505
(3-chloro-4-methylphenyl)-(5-ethylfuran-2-yl)methanone
CID 63194528
(5-chlorofuran-2-yl)-(5-ethylfuran-2-yl)methanone
CID 106683821
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 102762940
methyl 2-[5-(5-ethylfuran-2-carbonyl)thiophen-2-yl]acetate
CID 82884896
1-benzothiophen-2-yl-(5-chloro-4-methylthiophen-2-yl)methanone
CID 102763000
(5-ethylfuran-2-yl)-(2-fluoro-4,6-dimethylphenyl)methanone
CID 106883367
(5-chloro-4-methylthiophen-2-yl)-(2,4-diaminophenyl)methanone
CID 102765208
2-chloro-1-(5-chloro-4-methylthiophen-2-yl)ethanone
CID 102762735
1-(5-ethylfuran-2-yl)butan-1-one
CID 62344781
(5-chloro-4-methylthiophen-2-yl)-(4-methylsulfanylphenyl)methanone
CID 102763071

Frequently Asked Questions

What is the IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone?
The IUPAC name of (5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone (CID 102762955) is (5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone.
What is the SMILES notation for (5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone?
The canonical SMILES for (5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone is CCc1ccc(C(=O)c2cc(C)c(Cl)s2)o1.
What is the InChIKey of (5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone?
The InChIKey is PGBFWAOJQMYKCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2S/c1-3-8-4-5-9(15-8)11(14)10-6-7(2)12(13)16-10/h4-6H,3H2,1-2H3.
What are the key properties of (5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone?
(5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone has a molecular weight of 254.74 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-4-methylthiophen-2-yl)-(5-ethylfuran-2-yl)methanone is sourced from PubChem (CID 102762955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).