1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one

C14H14O2S — CID 63774976

IUPAC1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
SMILESCOc1ccc(C(=O)CCc2cccs2)cc1
InChIInChI=1S/C14H14O2S/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13/h2-7,10H,8-9H2,1H3
InChIKeyWKGDTBUQSVJZPN-UHFFFAOYSA-N
MW246.33 g/mol
LogP3.57
Rot. Bonds5

About 1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one

1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one (PubChem CID 63774976) has the molecular formula C14H14O2S and a molecular weight of 246.33 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
PubChem CID63774976
Molecular FormulaC14H14O2S
Molecular Weight246.33 g/mol
Exact Mass246.07
IUPAC Name1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one
SMILESCOc1ccc(C(=O)CCc2cccs2)cc1
InChIInChI=1S/C14H14O2S/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13/h2-7,10H,8-9H2,1H3
InChIKeyWKGDTBUQSVJZPN-UHFFFAOYSA-N
XLogP3.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.33
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethyl(thiophen-2-ylmethyl)amino]-1-(4-methoxyphenyl)ethanone
CID 62035966
1-(4-propan-2-yloxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105097435
1-(3,4-diethoxyphenyl)-3-thiophen-2-ylpropan-1-one
CID 114973274
1-(5-methoxy-3-pyridinyl)-4-thiophen-2-ylbutan-1-one
CID 105123969
N-[(6-methoxynaphthalen-2-yl)methyl]-N-methyl-3-thiophen-2-ylpropanamide
CID 24682495
1-(2,5-dimethoxyphenyl)-4-thiophen-2-ylbutan-1-one
CID 105098364
1,9-bis(4-methoxyphenyl)nonane-1,9-dione
CID 3499009
1-[3-(difluoromethoxy)phenyl]-3-thiophen-2-ylpropan-1-one
CID 114973227
3-(2-hydroxyphenyl)-1-(4-methoxyphenyl)propan-1-one
CID 13045747
1-(4-methoxyphenyl)butan-1-one;hydrochloride
CID 162084347
N-[(3,5-dimethoxyphenyl)methyl]-3-thiophen-2-ylpropanamide
CID 52570846
2-(4-methoxyphenyl)-N-methyl-N-(2-thiophen-2-ylethyl)acetamide
CID 110733443

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one?
The IUPAC name of 1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one (CID 63774976) is 1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one?
The canonical SMILES for 1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one is COc1ccc(C(=O)CCc2cccs2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one?
The InChIKey is WKGDTBUQSVJZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O2S/c1-16-12-6-4-11(5-7-12)14(15)9-8-13-3-2-10-17-13/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one?
1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one has a molecular weight of 246.33 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 63774976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).