(4-methoxyphenyl)-thiophen-3-ylmethanone

C12H10O2S — CID 14639065

IUPAC(4-methoxyphenyl)-thiophen-3-ylmethanone
SMILESCOc1ccc(C(=O)c2ccsc2)cc1
InChIInChI=1S/C12H10O2S/c1-14-11-4-2-9(3-5-11)12(13)10-6-7-15-8-10/h2-8H,1H3
InChIKeyKRAFKJLSLUZFSZ-UHFFFAOYSA-N
MW218.28 g/mol
LogP2.99
Rot. Bonds3

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

(4-methoxyphenyl)-thiophen-3-ylmethanone (PubChem CID 14639065) has the molecular formula C12H10O2S and a molecular weight of 218.28 g/mol. Its IUPAC name is (4-methoxyphenyl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-thiophen-3-ylmethanone
PubChem CID14639065
Molecular FormulaC12H10O2S
Molecular Weight218.28 g/mol
Exact Mass218.04
IUPAC Name(4-methoxyphenyl)-thiophen-3-ylmethanone
SMILESCOc1ccc(C(=O)c2ccsc2)cc1
InChIInChI=1S/C12H10O2S/c1-14-11-4-2-9(3-5-11)12(13)10-6-7-15-8-10/h2-8H,1H3
InChIKeyKRAFKJLSLUZFSZ-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 (4-methoxyphenyl)-thiophen-3-ylmethanone?
The IUPAC name of (4-methoxyphenyl)-thiophen-3-ylmethanone (CID 14639065) is (4-methoxyphenyl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-methoxyphenyl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-methoxyphenyl)-thiophen-3-ylmethanone is COc1ccc(C(=O)c2ccsc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-thiophen-3-ylmethanone?
The InChIKey is KRAFKJLSLUZFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O2S/c1-14-11-4-2-9(3-5-11)12(13)10-6-7-15-8-10/h2-8H,1H3.
What are the key properties of (4-methoxyphenyl)-thiophen-3-ylmethanone?
(4-methoxyphenyl)-thiophen-3-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 (4-methoxyphenyl)-thiophen-3-ylmethanone is sourced from PubChem (CID 14639065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).