(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone

C12H9ClO2S — CID 43561635

IUPAC(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone
SMILESCOc1ccc(C(=O)c2ccsc2)c(Cl)c1
InChIInChI=1S/C12H9ClO2S/c1-15-9-2-3-10(11(13)6-9)12(14)8-4-5-16-7-8/h2-7H,1H3
InChIKeyUIXHLSDHRVUTTK-UHFFFAOYSA-N
MW252.72 g/mol
LogP3.64
Rot. Bonds3

About (2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone

(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone (PubChem CID 43561635) has the molecular formula C12H9ClO2S and a molecular weight of 252.72 g/mol. Its IUPAC name is (2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone
PubChem CID43561635
Molecular FormulaC12H9ClO2S
Molecular Weight252.72 g/mol
Exact Mass252.00
IUPAC Name(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone
SMILESCOc1ccc(C(=O)c2ccsc2)c(Cl)c1
InChIInChI=1S/C12H9ClO2S/c1-15-9-2-3-10(11(13)6-9)12(14)8-4-5-16-7-8/h2-7H,1H3
InChIKeyUIXHLSDHRVUTTK-UHFFFAOYSA-N
XLogP3.64
TPSA26.30 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 ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone?
The IUPAC name of (2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone (CID 43561635) is (2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone is COc1ccc(C(=O)c2ccsc2)c(Cl)c1.
What is the InChIKey of (2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone?
The InChIKey is UIXHLSDHRVUTTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClO2S/c1-15-9-2-3-10(11(13)6-9)12(14)8-4-5-16-7-8/h2-7H,1H3.
What are the key properties of (2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone?
(2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone has a molecular weight of 252.72 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methoxyphenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 43561635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).