5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid

C12H10O5 — CID 55244838

IUPAC5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccccc2CO)o1
InChIInChI=1S/C12H10O5/c13-7-8-3-1-2-4-9(8)16-11-6-5-10(17-11)12(14)15/h1-6,13H,7H2,(H,14,15)
InChIKeySQCRBEADBCFWRZ-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.26
Rot. Bonds4

About 5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid

5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid (PubChem CID 55244838) has the molecular formula C12H10O5 and a molecular weight of 234.21 g/mol. Its IUPAC name is 5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid
PubChem CID55244838
Molecular FormulaC12H10O5
Molecular Weight234.21 g/mol
Exact Mass234.05
IUPAC Name5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid
SMILESO=C(O)c1ccc(Oc2ccccc2CO)o1
InChIInChI=1S/C12H10O5/c13-7-8-3-1-2-4-9(8)16-11-6-5-10(17-11)12(14)15/h1-6,13H,7H2,(H,14,15)
InChIKeySQCRBEADBCFWRZ-UHFFFAOYSA-N
XLogP2.26
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenoxy)furan-2-carboxylic acid
CID 28814727
2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63653260
5-[2-chloro-3-(trifluoromethyl)phenoxy]furan-2-carboxylic acid
CID 46779209
2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid
CID 10563400
5-(2-hydroxyethoxy)furan-2-carboxylic acid
CID 62206874
5-(2-phenoxyethoxy)furan-2-carboxylic acid
CID 62205472
5-[(2-ethyl-6-methyl-3-pyridinyl)oxy]furan-2-carboxylic acid
CID 103174527
3-[2-(hydroxymethyl)phenoxy]pyrazine-2-carboxylic acid
CID 63681353
5-[2-(2-methoxyphenyl)ethyl]furan-2-carboxylic acid
CID 23148945
furan-2,5-dicarboxylic acid;indigane
CID 174700126
methyl 5-(2-phenylmethoxycarbonylphenoxy)furan-2-carboxylate
CID 10665664
4-chloro-2-[2-(hydroxymethyl)phenoxy]benzoic acid
CID 63681354

Frequently Asked Questions

What is the IUPAC name of 5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid?
The IUPAC name of 5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid (CID 55244838) is 5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid.
What is the SMILES notation for 5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid?
The canonical SMILES for 5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid is O=C(O)c1ccc(Oc2ccccc2CO)o1.
What is the InChIKey of 5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid?
The InChIKey is SQCRBEADBCFWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O5/c13-7-8-3-1-2-4-9(8)16-11-6-5-10(17-11)12(14)15/h1-6,13H,7H2,(H,14,15).
What are the key properties of 5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid?
5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid has a molecular weight of 234.21 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(hydroxymethyl)phenoxy]furan-2-carboxylic acid is sourced from PubChem (CID 55244838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).