2-(furan-3-yl)-5-methoxybenzoic acid

C12H10O4 — CID 63948118

IUPAC2-(furan-3-yl)-5-methoxybenzoic acid
SMILESCOc1ccc(-c2ccoc2)c(C(=O)O)c1
InChIInChI=1S/C12H10O4/c1-15-9-2-3-10(8-4-5-16-7-8)11(6-9)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyGAFUHXPPRBAXMM-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.65
Rot. Bonds3

About 2-(furan-3-yl)-5-methoxybenzoic acid

2-(furan-3-yl)-5-methoxybenzoic acid (PubChem CID 63948118) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 2-(furan-3-yl)-5-methoxybenzoic acid.

Molecular Properties

Compound Name2-(furan-3-yl)-5-methoxybenzoic acid
PubChem CID63948118
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name2-(furan-3-yl)-5-methoxybenzoic acid
SMILESCOc1ccc(-c2ccoc2)c(C(=O)O)c1
InChIInChI=1S/C12H10O4/c1-15-9-2-3-10(8-4-5-16-7-8)11(6-9)12(13)14/h2-7H,1H3,(H,13,14)
InChIKeyGAFUHXPPRBAXMM-UHFFFAOYSA-N
XLogP2.65
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-methoxy-2-(4-methoxyphenyl)benzoic acid
CID 2060525
2-(4-fluorophenyl)-5-methoxybenzoic acid
CID 15461737
5-methoxy-2-[4-(trifluoromethoxy)phenyl]benzoic acid
CID 53228264
2-(3-chloro-5-methylphenyl)-5-methoxybenzoic acid
CID 53226719
2-(3-bromofuran-2-yl)-5-methoxybenzoic acid
CID 63950223
3-(furan-3-yl)-4-methoxybenzoic acid
CID 63948323
5-methoxy-2-[4-(2-methylpropyl)phenyl]benzoic acid
CID 63423926
2-(3-acetamidophenyl)-5-methoxybenzoic acid
CID 53227035
2-(4-fluoro-3-methoxycarbonylphenyl)-5-methoxybenzoic acid
CID 53228031
2-[2-(furan-3-yl)ethyl]-4-methoxybenzoic acid
CID 167607988
2-(2,3-difluoro-4-methylphenyl)-5-methoxybenzoic acid
CID 107514003
2-[3-iodo-4-(3-iodophenyl)phenyl]-5-methoxybenzoic acid
CID 130342644

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-5-methoxybenzoic acid?
The IUPAC name of 2-(furan-3-yl)-5-methoxybenzoic acid (CID 63948118) is 2-(furan-3-yl)-5-methoxybenzoic acid.
What is the SMILES notation for 2-(furan-3-yl)-5-methoxybenzoic acid?
The canonical SMILES for 2-(furan-3-yl)-5-methoxybenzoic acid is COc1ccc(-c2ccoc2)c(C(=O)O)c1.
What is the InChIKey of 2-(furan-3-yl)-5-methoxybenzoic acid?
The InChIKey is GAFUHXPPRBAXMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-15-9-2-3-10(8-4-5-16-7-8)11(6-9)12(13)14/h2-7H,1H3,(H,13,14).
What are the key properties of 2-(furan-3-yl)-5-methoxybenzoic acid?
2-(furan-3-yl)-5-methoxybenzoic acid has a molecular weight of 218.21 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-5-methoxybenzoic acid is sourced from PubChem (CID 63948118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).