2-(phenylmethoxymethyl)furan-3-carboxylic acid

C13H12O4 — CID 43477489

IUPAC2-(phenylmethoxymethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1COCc1ccccc1
InChIInChI=1S/C13H12O4/c14-13(15)11-6-7-17-12(11)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,15)
InChIKeyBXZYTSWAJMJDSV-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.69
Rot. Bonds5

About 2-(phenylmethoxymethyl)furan-3-carboxylic acid

2-(phenylmethoxymethyl)furan-3-carboxylic acid (PubChem CID 43477489) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-(phenylmethoxymethyl)furan-3-carboxylic acid.

Molecular Properties

Compound Name2-(phenylmethoxymethyl)furan-3-carboxylic acid
PubChem CID43477489
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name2-(phenylmethoxymethyl)furan-3-carboxylic acid
SMILESO=C(O)c1ccoc1COCc1ccccc1
InChIInChI=1S/C13H12O4/c14-13(15)11-6-7-17-12(11)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,15)
InChIKeyBXZYTSWAJMJDSV-UHFFFAOYSA-N
XLogP2.69
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(pyridin-3-ylmethoxymethyl)furan-3-carboxylic acid
CID 83214184
2-[[(E)-3-phenylprop-2-enoxy]methyl]furan-3-carboxylic acid
CID 43477539
3-fluoro-2-(phenylmethoxymethyl)furan
CID 23656002
3-phenylmethoxy-2-(phenylmethoxymethyl)furan
CID 14859945
2-(benzylsulfonylmethyl)furan-3-carboxylic acid
CID 43477672
2-(hexoxymethyl)furan-3-carboxylic acid
CID 43477530
acetic acid;phenylmethoxymethylbenzene
CID 175214238
2-[(4-carboxyphenoxy)methyl]furan-3-carboxylic acid
CID 823830
2-[(6-methylcyclohex-3-en-1-yl)methoxymethyl]furan-3-carboxylic acid
CID 43477541
2-[[(1-hydroxy-3-phenylpropan-2-yl)amino]methyl]furan-3-carboxylic acid
CID 103251231
2-[(4-propylphenoxy)methyl]furan-3-carboxylic acid
CID 62550489
2-butylfuran-3-carboxylic acid
CID 10678677

Frequently Asked Questions

What is the IUPAC name of 2-(phenylmethoxymethyl)furan-3-carboxylic acid?
The IUPAC name of 2-(phenylmethoxymethyl)furan-3-carboxylic acid (CID 43477489) is 2-(phenylmethoxymethyl)furan-3-carboxylic acid.
What is the SMILES notation for 2-(phenylmethoxymethyl)furan-3-carboxylic acid?
The canonical SMILES for 2-(phenylmethoxymethyl)furan-3-carboxylic acid is O=C(O)c1ccoc1COCc1ccccc1.
What is the InChIKey of 2-(phenylmethoxymethyl)furan-3-carboxylic acid?
The InChIKey is BXZYTSWAJMJDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c14-13(15)11-6-7-17-12(11)9-16-8-10-4-2-1-3-5-10/h1-7H,8-9H2,(H,14,15).
What are the key properties of 2-(phenylmethoxymethyl)furan-3-carboxylic acid?
2-(phenylmethoxymethyl)furan-3-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(phenylmethoxymethyl)furan-3-carboxylic acid is sourced from PubChem (CID 43477489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).