1-(4-methoxythiophen-2-yl)-2-phenylethanone

C13H12O2S — CID 81123035

IUPAC1-(4-methoxythiophen-2-yl)-2-phenylethanone
SMILESCOc1csc(C(=O)Cc2ccccc2)c1
InChIInChI=1S/C13H12O2S/c1-15-11-8-13(16-9-11)12(14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKeyYPECEPZVPNLONQ-UHFFFAOYSA-N
MW232.30 g/mol
LogP3.18
Rot. Bonds4

About 1-(4-methoxythiophen-2-yl)-2-phenylethanone

1-(4-methoxythiophen-2-yl)-2-phenylethanone (PubChem CID 81123035) has the molecular formula C13H12O2S and a molecular weight of 232.30 g/mol. Its IUPAC name is 1-(4-methoxythiophen-2-yl)-2-phenylethanone.

Molecular Properties

Compound Name1-(4-methoxythiophen-2-yl)-2-phenylethanone
PubChem CID81123035
Molecular FormulaC13H12O2S
Molecular Weight232.30 g/mol
Exact Mass232.06
IUPAC Name1-(4-methoxythiophen-2-yl)-2-phenylethanone
SMILESCOc1csc(C(=O)Cc2ccccc2)c1
InChIInChI=1S/C13H12O2S/c1-15-11-8-13(16-9-11)12(14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3
InChIKeyYPECEPZVPNLONQ-UHFFFAOYSA-N
XLogP3.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.30
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-1-(4-methoxythiophen-2-yl)ethanone
CID 81140445
[2-(4-methoxythiophen-2-yl)-2-oxoethyl]carbamic acid
CID 172680009
2-[(4-methoxythiophene-2-carbonyl)amino]-3-phenylpropanoic acid
CID 81117482
(2R)-2-[benzyl-(4-methoxythiophene-2-carbonyl)amino]propanoic acid
CID 129469228
2-(5-bromo-2-pyridinyl)-1-(4-methoxythiophen-2-yl)ethanone
CID 115801115
4-[(4-methoxythiophene-2-carbonyl)amino]-5-phenylpentanoic acid
CID 120547332
1-(4-methoxythiophen-2-yl)-3-methylsulfonylpropan-1-one
CID 114969694
N-[[3-(hydroxymethyl)phenyl]methyl]-4-methoxythiophene-2-carboxamide
CID 79465874
1-(4-methoxythiophen-2-yl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107063206
2-[2-[(4-methoxythiophene-2-carbonyl)amino]ethyl]benzoic acid
CID 81121352
[5-methoxy-2-(2-phenylacetyl)phenyl] acetate
CID 12582102
N-[(3-aminophenyl)methyl]-4-methoxy-N-methylthiophene-2-carboxamide
CID 81116579

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxythiophen-2-yl)-2-phenylethanone?
The IUPAC name of 1-(4-methoxythiophen-2-yl)-2-phenylethanone (CID 81123035) is 1-(4-methoxythiophen-2-yl)-2-phenylethanone.
What is the SMILES notation for 1-(4-methoxythiophen-2-yl)-2-phenylethanone?
The canonical SMILES for 1-(4-methoxythiophen-2-yl)-2-phenylethanone is COc1csc(C(=O)Cc2ccccc2)c1.
What is the InChIKey of 1-(4-methoxythiophen-2-yl)-2-phenylethanone?
The InChIKey is YPECEPZVPNLONQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O2S/c1-15-11-8-13(16-9-11)12(14)7-10-5-3-2-4-6-10/h2-6,8-9H,7H2,1H3.
What are the key properties of 1-(4-methoxythiophen-2-yl)-2-phenylethanone?
1-(4-methoxythiophen-2-yl)-2-phenylethanone has a molecular weight of 232.30 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxythiophen-2-yl)-2-phenylethanone is sourced from PubChem (CID 81123035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).