2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid

C14H12O5 — CID 169335754

IUPAC2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid
SMILESCOc1cc(C(=O)O)c(-c2ccc(C=O)o2)cc1C
InChIInChI=1S/C14H12O5/c1-8-5-10(12-4-3-9(7-15)19-12)11(14(16)17)6-13(8)18-2/h3-7H,1-2H3,(H,16,17)
InChIKeyYWPAACFXKNXFBE-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.77
Rot. Bonds4

About 2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid

2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid (PubChem CID 169335754) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid.

Molecular Properties

Compound Name2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid
PubChem CID169335754
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Name2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid
SMILESCOc1cc(C(=O)O)c(-c2ccc(C=O)o2)cc1C
InChIInChI=1S/C14H12O5/c1-8-5-10(12-4-3-9(7-15)19-12)11(14(16)17)6-13(8)18-2/h3-7H,1-2H3,(H,16,17)
InChIKeyYWPAACFXKNXFBE-UHFFFAOYSA-N
XLogP2.77
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-(2,4,5-trimethylphenyl)furan-2-carbaldehyde
CID 106886507
5-(5-bromo-3-methoxy-2-methylphenyl)furan-2-carbaldehyde
CID 169333559
3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid
CID 169335175
3-fluoro-2-(5-formylfuran-2-yl)-4,5-dimethoxybenzamide
CID 169335091
5-(4-methoxy-3-pyridinyl)furan-2-carbaldehyde
CID 130565682
2,4-dimethoxy-5-methylbenzaldehyde;2,4-dimethoxy-5-methylbenzoic acid
CID 162265472
2-[4-(5-formylfuran-2-yl)phenyl]-6,8-dimethylquinoline-4-carboxylic acid
CID 169333799
ethane;4-methoxy-2,5-dimethylbenzoic acid
CID 145075043
5-(2,5-dibromo-4-methylphenyl)furan-2-carbaldehyde
CID 169334657
5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 169332736
5-(3-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169331838
5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde
CID 169335865

Frequently Asked Questions

What is the IUPAC name of 2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid?
The IUPAC name of 2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid (CID 169335754) is 2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid.
What is the SMILES notation for 2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid?
The canonical SMILES for 2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid is COc1cc(C(=O)O)c(-c2ccc(C=O)o2)cc1C.
What is the InChIKey of 2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid?
The InChIKey is YWPAACFXKNXFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O5/c1-8-5-10(12-4-3-9(7-15)19-12)11(14(16)17)6-13(8)18-2/h3-7H,1-2H3,(H,16,17).
What are the key properties of 2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid?
2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid has a molecular weight of 260.25 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid is sourced from PubChem (CID 169335754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).