3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid

C19H14O5 — CID 169335175

IUPAC3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2c(C(=O)O)cccc2-c2ccc(C=O)o2)cc1
InChIInChI=1S/C19H14O5/c1-23-13-7-5-12(6-8-13)18-15(3-2-4-16(18)19(21)22)17-10-9-14(11-20)24-17/h2-11H,1H3,(H,21,22)
InChIKeyQIOAZFUZYKHBIA-UHFFFAOYSA-N
MW322.32 g/mol
LogP4.13
Rot. Bonds5

About 3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid

3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid (PubChem CID 169335175) has the molecular formula C19H14O5 and a molecular weight of 322.32 g/mol. Its IUPAC name is 3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid.

Molecular Properties

Compound Name3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid
PubChem CID169335175
Molecular FormulaC19H14O5
Molecular Weight322.32 g/mol
Exact Mass322.08
IUPAC Name3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid
SMILESCOc1ccc(-c2c(C(=O)O)cccc2-c2ccc(C=O)o2)cc1
InChIInChI=1S/C19H14O5/c1-23-13-7-5-12(6-8-13)18-15(3-2-4-16(18)19(21)22)17-10-9-14(11-20)24-17/h2-11H,1H3,(H,21,22)
InChIKeyQIOAZFUZYKHBIA-UHFFFAOYSA-N
XLogP4.13
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 54.13
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

2-(5-formylfuran-2-yl)-N-[(4-methoxyphenyl)methyl]benzamide
CID 169335250
5-[2-(3-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 58838892
2-(5-formylfuran-2-yl)-5-methoxy-4-methylbenzoic acid
CID 169335754
2-[5-[2-cyano-3-(4-methoxyanilino)-3-oxoprop-1-enyl]furan-2-yl]benzoic acid
CID 1269175
5-[4-(2-methoxyphenyl)phenyl]furan-2-carbaldehyde
CID 169332736
3-[5-(4-methoxyphenyl)furan-2-yl]prop-2-enoic acid
CID 776100
5-(2-iodo-4-methoxyphenyl)furan-2-carbaldehyde
CID 169332115
2-(5-formylfuran-2-yl)-N,N-dimethylbenzamide
CID 169332033
8-(5-formylfuran-2-yl)quinoline-2-carboxylic acid
CID 169335149
5-[2-(4-chlorobenzoyl)-4-methoxyphenyl]furan-2-carbaldehyde
CID 169335865
2-(5-formylfuran-2-yl)-4-methoxybenzenesulfonic acid
CID 169334858
2-oxopropyl 2-(5-formylfuran-2-yl)benzoate
CID 169334646

Frequently Asked Questions

What is the IUPAC name of 3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid?
The IUPAC name of 3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid (CID 169335175) is 3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid.
What is the SMILES notation for 3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid?
The canonical SMILES for 3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid is COc1ccc(-c2c(C(=O)O)cccc2-c2ccc(C=O)o2)cc1.
What is the InChIKey of 3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid?
The InChIKey is QIOAZFUZYKHBIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14O5/c1-23-13-7-5-12(6-8-13)18-15(3-2-4-16(18)19(21)22)17-10-9-14(11-20)24-17/h2-11H,1H3,(H,21,22).
What are the key properties of 3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid?
3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid has a molecular weight of 322.32 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-formylfuran-2-yl)-2-(4-methoxyphenyl)benzoic acid is sourced from PubChem (CID 169335175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).