4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid

C13H12O4S — CID 66436440

IUPAC4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCOc1ccc(COc2csc(C(=O)O)c2)cc1
InChIInChI=1S/C13H12O4S/c1-16-10-4-2-9(3-5-10)7-17-11-6-12(13(14)15)18-8-11/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyCWPPVJIICCCKPV-UHFFFAOYSA-N
MW264.30 g/mol
LogP3.03
Rot. Bonds5

About 4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid

4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid (PubChem CID 66436440) has the molecular formula C13H12O4S and a molecular weight of 264.30 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
PubChem CID66436440
Molecular FormulaC13H12O4S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
SMILESCOc1ccc(COc2csc(C(=O)O)c2)cc1
InChIInChI=1S/C13H12O4S/c1-16-10-4-2-9(3-5-10)7-17-11-6-12(13(14)15)18-8-11/h2-6,8H,7H2,1H3,(H,14,15)
InChIKeyCWPPVJIICCCKPV-UHFFFAOYSA-N
XLogP3.03
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(3,4-dimethoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66438880
4-[(3-fluoro-4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid
CID 66437759
4-[(5-ethylthiophen-2-yl)methoxy]thiophene-2-carboxylic acid
CID 66436704
4-[(4-propylphenoxy)methyl]thiophene-2-carboxylic acid
CID 19620562
4-[(4-methoxyphenyl)methyl-methylamino]thiophene-2-carboxylic acid
CID 113403958
4-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620576
4-[4-(2-methoxyethyl)phenoxy]thiophene-2-carboxylic acid
CID 113404027
4-(naphthalen-1-ylmethoxy)thiophene-2-carboxylic acid
CID 66436693
4-(4-propylphenoxy)thiophene-2-carboxylic acid
CID 113404042
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]thiophene-2-carboxylic acid
CID 66439304
[4-[(4-methoxyphenoxy)methyl]thiophen-2-yl]-pyrrolidin-1-ylmethanone
CID 19499165
4-[(3,5-dimethoxyphenoxy)methyl]benzoic acid
CID 43238029

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The IUPAC name of 4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid (CID 66436440) is 4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid.
What is the SMILES notation for 4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The canonical SMILES for 4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid is COc1ccc(COc2csc(C(=O)O)c2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
The InChIKey is CWPPVJIICCCKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4S/c1-16-10-4-2-9(3-5-10)7-17-11-6-12(13(14)15)18-8-11/h2-6,8H,7H2,1H3,(H,14,15).
What are the key properties of 4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid?
4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid has a molecular weight of 264.30 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methoxy]thiophene-2-carboxylic acid is sourced from PubChem (CID 66436440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).