2-(furan-2-ylmethoxy)benzoic acid

C12H10O4 — CID 28604768

IUPAC2-(furan-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCc1ccco1
InChIInChI=1S/C12H10O4/c13-12(14)10-5-1-2-6-11(10)16-8-9-4-3-7-15-9/h1-7H,8H2,(H,13,14)
InChIKeyAFPYWCIHZSJNQT-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.56
Rot. Bonds4

About 2-(furan-2-ylmethoxy)benzoic acid

2-(furan-2-ylmethoxy)benzoic acid (PubChem CID 28604768) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(furan-2-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name2-(furan-2-ylmethoxy)benzoic acid
PubChem CID28604768
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name2-(furan-2-ylmethoxy)benzoic acid
SMILESO=C(O)c1ccccc1OCc1ccco1
InChIInChI=1S/C12H10O4/c13-12(14)10-5-1-2-6-11(10)16-8-9-4-3-7-15-9/h1-7H,8H2,(H,13,14)
InChIKeyAFPYWCIHZSJNQT-UHFFFAOYSA-N
XLogP2.56
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(furan-2-ylmethoxy)benzenecarboximidamide
CID 28601541
2-[(5-bromofuran-2-yl)methoxy]benzoic acid
CID 43143148
2-[[3-[(2-carboxyphenoxy)methyl]phenyl]methoxy]benzoic acid
CID 71356398
2-(pyrimidin-2-ylmethoxy)benzoic acid
CID 62698186
2-[2-[2-(2-carboxyphenoxy)ethoxy]ethoxy]benzoic acid
CID 2215647
2-chloro-4-(furan-2-ylmethoxy)benzoic acid
CID 62946408
2-[[6-[(2-carboxyphenoxy)methyl]-2-pyridinyl]methoxy]benzoic acid
CID 15529741
2-(3-carboxypropoxy)benzoic acid
CID 14661645
2-(4-phenoxybutoxy)benzoic acid
CID 67413317
2-[(2-fluorophenyl)methoxy]benzoic acid
CID 8707038
2-[(4-chlorophenyl)methoxy]benzoic acid
CID 2360737
2-ethoxybenzoic acid;zinc
CID 172723273

Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethoxy)benzoic acid?
The IUPAC name of 2-(furan-2-ylmethoxy)benzoic acid (CID 28604768) is 2-(furan-2-ylmethoxy)benzoic acid.
What is the SMILES notation for 2-(furan-2-ylmethoxy)benzoic acid?
The canonical SMILES for 2-(furan-2-ylmethoxy)benzoic acid is O=C(O)c1ccccc1OCc1ccco1.
What is the InChIKey of 2-(furan-2-ylmethoxy)benzoic acid?
The InChIKey is AFPYWCIHZSJNQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c13-12(14)10-5-1-2-6-11(10)16-8-9-4-3-7-15-9/h1-7H,8H2,(H,13,14).
What are the key properties of 2-(furan-2-ylmethoxy)benzoic acid?
2-(furan-2-ylmethoxy)benzoic acid has a molecular weight of 218.21 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethoxy)benzoic acid is sourced from PubChem (CID 28604768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).