3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid

C12H10O3S — CID 56965502

IUPAC3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-c1ccc(CO)cc1
InChIInChI=1S/C12H10O3S/c13-7-8-1-3-9(4-2-8)10-5-6-16-11(10)12(14)15/h1-6,13H,7H2,(H,14,15)
InChIKeyBCJQRJNKCKCSOI-UHFFFAOYSA-N
MW234.28 g/mol
LogP2.61
Rot. Bonds3

About 3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid

3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid (PubChem CID 56965502) has the molecular formula C12H10O3S and a molecular weight of 234.28 g/mol. Its IUPAC name is 3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid
PubChem CID56965502
Molecular FormulaC12H10O3S
Molecular Weight234.28 g/mol
Exact Mass234.04
IUPAC Name3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1-c1ccc(CO)cc1
InChIInChI=1S/C12H10O3S/c13-7-8-1-3-9(4-2-8)10-5-6-16-11(10)12(14)15/h1-6,13H,7H2,(H,14,15)
InChIKeyBCJQRJNKCKCSOI-UHFFFAOYSA-N
XLogP2.61
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-methoxyethyl)phenyl]thiophene-2-carboxylic acid
CID 63797186
2-[4-(hydroxymethyl)phenyl]thiophene-3-carboxylic acid
CID 56965501
3-pyridin-4-ylthiophene-2-carboxylic acid;hydrochloride
CID 141009067
3-(4-cyclobutylphenyl)thiophene-2-carboxylic acid
CID 116506484
3-naphthalen-2-ylthiophene-2-carboxylic acid
CID 63798370
benzyl 3-phenylthiophene-2-carboxylate
CID 175107738
3-[4-[[2-butyl-4-chloro-5-(hydroxymethyl)imidazol-1-yl]methyl]phenyl]thiophene-2-carboxylic acid
CID 10046848
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)thiophene-2-carboxylic acid
CID 63798374
3-phenylthiophene-2-carbonyl chloride
CID 119087278
3-(4-methoxy-3,5-dimethylphenyl)thiophene-2-carboxylic acid
CID 83068115
acetic acid;[4-(hydroxymethyl)phenyl]methanol
CID 71354218
3-(4-bromothiophen-3-yl)thiophene-2-carboxylic acid
CID 79602772

Frequently Asked Questions

What is the IUPAC name of 3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid (CID 56965502) is 3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1-c1ccc(CO)cc1.
What is the InChIKey of 3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid?
The InChIKey is BCJQRJNKCKCSOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3S/c13-7-8-1-3-9(4-2-8)10-5-6-16-11(10)12(14)15/h1-6,13H,7H2,(H,14,15).
What are the key properties of 3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid?
3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid has a molecular weight of 234.28 g/mol, XLogP of 2.61, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(hydroxymethyl)phenyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 56965502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).