(2-methoxyphenyl)-thiophen-2-ylmethanone

C12H10O2S — CID 639896

IUPAC(2-methoxyphenyl)-thiophen-2-ylmethanone
SMILESCOc1ccccc1C(=O)c1cccs1
InChIInChI=1S/C12H10O2S/c1-14-10-6-3-2-5-9(10)12(13)11-7-4-8-15-11/h2-8H,1H3
InChIKeyHBTWCIUCSZGWDX-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.99
Rot. Bonds3

About (2-methoxyphenyl)-thiophen-2-ylmethanone

(2-methoxyphenyl)-thiophen-2-ylmethanone (PubChem CID 639896) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is (2-methoxyphenyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(2-methoxyphenyl)-thiophen-2-ylmethanone
PubChem CID639896
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name(2-methoxyphenyl)-thiophen-2-ylmethanone
SMILESCOc1ccccc1C(=O)c1cccs1
InChIInChI=1S/C12H10O2S/c1-14-10-6-3-2-5-9(10)12(13)11-7-4-8-15-11/h2-8H,1H3
InChIKeyHBTWCIUCSZGWDX-UHFFFAOYSA-N
XLogP2.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-methoxyphenyl)-thiophen-2-ylmethanone?
The IUPAC name of (2-methoxyphenyl)-thiophen-2-ylmethanone (CID 639896) is (2-methoxyphenyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (2-methoxyphenyl)-thiophen-2-ylmethanone?
The canonical SMILES for (2-methoxyphenyl)-thiophen-2-ylmethanone is COc1ccccc1C(=O)c1cccs1.
What is the InChIKey of (2-methoxyphenyl)-thiophen-2-ylmethanone?
The InChIKey is HBTWCIUCSZGWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-14-10-6-3-2-5-9(10)12(13)11-7-4-8-15-11/h2-8H,1H3.
What are the key properties of (2-methoxyphenyl)-thiophen-2-ylmethanone?
(2-methoxyphenyl)-thiophen-2-ylmethanone has a molecular weight of 218.28 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxyphenyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 639896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).