3-(furan-3-yl)-4-methoxybenzoic acid

C12H10O4 — CID 63948323

IUPAC3-(furan-3-yl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1ccoc1
InChIInChI=1S/C12H10O4/c1-15-11-3-2-8(12(13)14)6-10(11)9-4-5-16-7-9/h2-7H,1H3,(H,13,14)
InChIKeyAZPDHXCJLMPRBT-UHFFFAOYSA-N
MW218.21 g/mol
LogP2.65
Rot. Bonds3

About 3-(furan-3-yl)-4-methoxybenzoic acid

3-(furan-3-yl)-4-methoxybenzoic acid (PubChem CID 63948323) has the molecular formula C12H10O4 and a molecular weight of 218.21 g/mol. Its IUPAC name is 3-(furan-3-yl)-4-methoxybenzoic acid.

Molecular Properties

Compound Name3-(furan-3-yl)-4-methoxybenzoic acid
PubChem CID63948323
Molecular FormulaC12H10O4
Molecular Weight218.21 g/mol
Exact Mass218.06
IUPAC Name3-(furan-3-yl)-4-methoxybenzoic acid
SMILESCOc1ccc(C(=O)O)cc1-c1ccoc1
InChIInChI=1S/C12H10O4/c1-15-11-3-2-8(12(13)14)6-10(11)9-4-5-16-7-9/h2-7H,1H3,(H,13,14)
InChIKeyAZPDHXCJLMPRBT-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

3-(3-hydroxyphenyl)-4-methoxybenzoic acid
CID 115045204
3-(3-fluorophenyl)-4-methoxybenzoic acid
CID 39349091
3-(3-bromophenyl)-4-methoxybenzoic acid
CID 115503797
3-(1,3-benzodioxol-5-yl)-4-methoxybenzoic acid
CID 82039175
2-(furan-3-yl)-5-methoxybenzoic acid
CID 63948118
4-methoxy-3-(1-methylindol-5-yl)benzoic acid
CID 82039901
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-methoxy-3-(2,4,6-trifluorophenyl)benzoic acid
CID 61025742
4-methoxy-3-(3-phenyl-1,2,4-oxadiazol-5-yl)benzoic acid
CID 54391138
4-[5-[(E)-1-carboxyprop-1-en-2-yl]-2-methoxyphenyl]benzoic acid
CID 110447068
3-hydroxy-4-methoxybenzoic acid
CID 12575
3-[3-[(dimethylamino)methyl]phenyl]-4-methoxybenzoic acid
CID 82039455

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-yl)-4-methoxybenzoic acid?
The IUPAC name of 3-(furan-3-yl)-4-methoxybenzoic acid (CID 63948323) is 3-(furan-3-yl)-4-methoxybenzoic acid.
What is the SMILES notation for 3-(furan-3-yl)-4-methoxybenzoic acid?
The canonical SMILES for 3-(furan-3-yl)-4-methoxybenzoic acid is COc1ccc(C(=O)O)cc1-c1ccoc1.
What is the InChIKey of 3-(furan-3-yl)-4-methoxybenzoic acid?
The InChIKey is AZPDHXCJLMPRBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O4/c1-15-11-3-2-8(12(13)14)6-10(11)9-4-5-16-7-9/h2-7H,1H3,(H,13,14).
What are the key properties of 3-(furan-3-yl)-4-methoxybenzoic acid?
3-(furan-3-yl)-4-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 3-(furan-3-yl)-4-methoxybenzoic acid is sourced from PubChem (CID 63948323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).