2-[4-(furan-3-ylmethoxy)phenyl]acetic acid

C13H12O4 — CID 68666970

IUPAC2-[4-(furan-3-ylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2ccoc2)cc1
InChIInChI=1S/C13H12O4/c14-13(15)7-10-1-3-12(4-2-10)17-9-11-5-6-16-8-11/h1-6,8H,7,9H2,(H,14,15)
InChIKeyMTNNWZBLKHCURM-UHFFFAOYSA-N
MW232.24 g/mol
LogP2.49
Rot. Bonds5

About 2-[4-(furan-3-ylmethoxy)phenyl]acetic acid

2-[4-(furan-3-ylmethoxy)phenyl]acetic acid (PubChem CID 68666970) has the molecular formula C13H12O4 and a molecular weight of 232.24 g/mol. Its IUPAC name is 2-[4-(furan-3-ylmethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-(furan-3-ylmethoxy)phenyl]acetic acid
PubChem CID68666970
Molecular FormulaC13H12O4
Molecular Weight232.24 g/mol
Exact Mass232.07
IUPAC Name2-[4-(furan-3-ylmethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCc2ccoc2)cc1
InChIInChI=1S/C13H12O4/c14-13(15)7-10-1-3-12(4-2-10)17-9-11-5-6-16-8-11/h1-6,8H,7,9H2,(H,14,15)
InChIKeyMTNNWZBLKHCURM-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
2-[4-[(4-tert-butylphenyl)methoxy]phenyl]acetic acid
CID 45398570
2-[4-[(4-tert-butylphenoxy)methyl]phenyl]acetic acid
CID 20985349
2-[4-(1,2-oxazol-3-ylmethoxy)phenyl]acetic acid
CID 117094930
2-[4-[[furan-3-ylmethyl(methyl)amino]methyl]phenoxy]acetic acid
CID 122561799
2-[4-(naphthalen-2-yloxymethyl)phenyl]acetic acid
CID 20984477
2-[4-(2-chloroethoxy)phenyl]acetic acid
CID 22615229
2-(4-hydroperoxyphenyl)acetic acid
CID 151534269
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
CID 102939339
2-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]acetic acid
CID 82866163
2-[[4-(carboxymethyl)phenoxy]methyl]benzoic acid;methane
CID 21269133
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983

Frequently Asked Questions

What is the IUPAC name of 2-[4-(furan-3-ylmethoxy)phenyl]acetic acid?
The IUPAC name of 2-[4-(furan-3-ylmethoxy)phenyl]acetic acid (CID 68666970) is 2-[4-(furan-3-ylmethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[4-(furan-3-ylmethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[4-(furan-3-ylmethoxy)phenyl]acetic acid is O=C(O)Cc1ccc(OCc2ccoc2)cc1.
What is the InChIKey of 2-[4-(furan-3-ylmethoxy)phenyl]acetic acid?
The InChIKey is MTNNWZBLKHCURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12O4/c14-13(15)7-10-1-3-12(4-2-10)17-9-11-5-6-16-8-11/h1-6,8H,7,9H2,(H,14,15).
What are the key properties of 2-[4-(furan-3-ylmethoxy)phenyl]acetic acid?
2-[4-(furan-3-ylmethoxy)phenyl]acetic acid has a molecular weight of 232.24 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(furan-3-ylmethoxy)phenyl]acetic acid is sourced from PubChem (CID 68666970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).