5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid

C13H12O4S — CID 55183087

IUPAC5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cccc(CO)c2)s1
InChIInChI=1S/C13H12O4S/c14-7-9-2-1-3-10(6-9)17-8-11-4-5-12(18-11)13(15)16/h1-6,14H,7-8H2,(H,15,16)
InChIKeyRCGUMIZGJWHRPF-UHFFFAOYSA-N
MW264.30 g/mol
LogP2.52
Rot. Bonds5

About 5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid

5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid (PubChem CID 55183087) has the molecular formula C13H12O4S and a molecular weight of 264.30 g/mol. Its IUPAC name is 5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid
PubChem CID55183087
Molecular FormulaC13H12O4S
Molecular Weight264.30 g/mol
Exact Mass264.05
IUPAC Name5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1ccc(COc2cccc(CO)c2)s1
InChIInChI=1S/C13H12O4S/c14-7-9-2-1-3-10(6-9)17-8-11-4-5-12(18-11)13(15)16/h1-6,14H,7-8H2,(H,15,16)
InChIKeyRCGUMIZGJWHRPF-UHFFFAOYSA-N
XLogP2.52
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-fluorophenoxy)methyl]thiophene-2-carboxylic acid
CID 63380111
5-[(3-iodophenoxy)methyl]thiophene-2-carboxylic acid
CID 63380041
5-[(3,5-dichlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 63379886
5-[(4-chlorophenoxy)methyl]thiophene-2-carboxylic acid
CID 19620512
2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid
CID 115460733
4-[[3-(hydroxymethyl)phenoxy]methyl]-3-methylbenzoic acid
CID 114485771
5-[(4-formylphenoxy)methyl]thiophene-2-carboxylic acid
CID 63380284
6-[[3-(hydroxymethyl)phenoxy]methyl]pyridine-2-carboxylic acid
CID 106903344
[3-(oxiren-2-ylmethoxy)phenyl]methanol
CID 163982140
5-(hydroperoxymethyl)thiophene-2-carboxylic acid
CID 23563914
5-[(2-oxo-3,4-dihydro-1H-quinolin-7-yl)oxymethyl]thiophene-2-carboxylic acid
CID 114939878
5-[(3-cyano-5-methoxyphenoxy)methyl]thiophene-2-carboxylic acid
CID 103566249

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid?
The IUPAC name of 5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid (CID 55183087) is 5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid?
The canonical SMILES for 5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid is O=C(O)c1ccc(COc2cccc(CO)c2)s1.
What is the InChIKey of 5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid?
The InChIKey is RCGUMIZGJWHRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4S/c14-7-9-2-1-3-10(6-9)17-8-11-4-5-12(18-11)13(15)16/h1-6,14H,7-8H2,(H,15,16).
What are the key properties of 5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid?
5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid has a molecular weight of 264.30 g/mol, XLogP of 2.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(hydroxymethyl)phenoxy]methyl]thiophene-2-carboxylic acid is sourced from PubChem (CID 55183087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).