3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid

C15H16O4S — CID 16768846

IUPAC3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid
SMILESCCCOc1c(OC)cc(C(=O)O)cc1-c1cccs1
InChIInChI=1S/C15H16O4S/c1-3-6-19-14-11(13-5-4-7-20-13)8-10(15(16)17)9-12(14)18-2/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)
InChIKeyHYTXDLHEBAMEPP-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.91
Rot. Bonds6

About 3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid

3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid (PubChem CID 16768846) has the molecular formula C15H16O4S and a molecular weight of 292.36 g/mol. Its IUPAC name is 3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid.

Molecular Properties

Compound Name3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid
PubChem CID16768846
Molecular FormulaC15H16O4S
Molecular Weight292.36 g/mol
Exact Mass292.08
IUPAC Name3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid
SMILESCCCOc1c(OC)cc(C(=O)O)cc1-c1cccs1
InChIInChI=1S/C15H16O4S/c1-3-6-19-14-11(13-5-4-7-20-13)8-10(15(16)17)9-12(14)18-2/h4-5,7-9H,3,6H2,1-2H3,(H,16,17)
InChIKeyHYTXDLHEBAMEPP-UHFFFAOYSA-N
XLogP3.91
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethoxy-4-thiophen-2-ylbenzoic acid
CID 16768733
3-(furan-2-yl)-5-methoxy-4-propoxybenzoic acid
CID 166242273
3-methoxy-5-(2-methyl-4-pyridinyl)-4-propoxybenzoic acid
CID 167895239
3-bromo-5-methoxy-4-propoxybenzoic acid
CID 2414285
3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475
4-hexoxy-3,5-dimethoxybenzoic acid
CID 10265785
7-bromo-8,9-dimethoxy-1-thiophen-2-yl-5,6-dihydropyrrolo[2,1-a]isoquinoline-3-carboxylic acid
CID 58147695
N'-(3-bromo-5-methoxy-4-propoxybenzoyl)thiophene-2-carbohydrazide
CID 9479373
2-(2-methylphenyl)thiophene;1-(3,4,5-trimethoxyphenyl)ethanone
CID 143844967
7-methoxy-2-thiophen-2-yl-3H-benzimidazole-5-carboxylic acid
CID 58381346
4-(2-ethylsulfonylethoxy)-3,5-dimethoxybenzoic acid
CID 43807853
5-[3-(3,4-dimethoxy-5-thiophen-2-ylphenyl)prop-2-enoyl]-2,3-dimethoxybenzaldehyde
CID 72523989

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid?
The IUPAC name of 3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid (CID 16768846) is 3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid.
What is the SMILES notation for 3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid?
The canonical SMILES for 3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid is CCCOc1c(OC)cc(C(=O)O)cc1-c1cccs1.
What is the InChIKey of 3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid?
The InChIKey is HYTXDLHEBAMEPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16O4S/c1-3-6-19-14-11(13-5-4-7-20-13)8-10(15(16)17)9-12(14)18-2/h4-5,7-9H,3,6H2,1-2H3,(H,16,17).
What are the key properties of 3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid?
3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid has a molecular weight of 292.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propoxy-5-thiophen-2-ylbenzoic acid is sourced from PubChem (CID 16768846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).