2-(4-methoxyphenyl)furan-3-carbaldehyde

C12H10O3 — CID 86258825

IUPAC2-(4-methoxyphenyl)furan-3-carbaldehyde
SMILESCOc1ccc(-c2occc2C=O)cc1
InChIInChI=1S/C12H10O3/c1-14-11-4-2-9(3-5-11)12-10(8-13)6-7-15-12/h2-8H,1H3
InChIKeyHPQXKLZIPYVEBD-UHFFFAOYSA-N
MW202.21 g/mol
LogP2.77
Rot. Bonds3

About 2-(4-methoxyphenyl)furan-3-carbaldehyde

2-(4-methoxyphenyl)furan-3-carbaldehyde (PubChem CID 86258825) has the molecular formula C12H10O3 and a molecular weight of 202.21 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)furan-3-carbaldehyde.

Molecular Properties

Compound Name2-(4-methoxyphenyl)furan-3-carbaldehyde
PubChem CID86258825
Molecular FormulaC12H10O3
Molecular Weight202.21 g/mol
Exact Mass202.06
IUPAC Name2-(4-methoxyphenyl)furan-3-carbaldehyde
SMILESCOc1ccc(-c2occc2C=O)cc1
InChIInChI=1S/C12H10O3/c1-14-11-4-2-9(3-5-11)12-10(8-13)6-7-15-12/h2-8H,1H3
InChIKeyHPQXKLZIPYVEBD-UHFFFAOYSA-N
XLogP2.77
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.21
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-(3-formylfuran-2-yl)benzoate
CID 87990777
5-(4-methoxyphenyl)-4-oxopyran-3-carbaldehyde
CID 15311157
2-[1-(4-methoxybenzoyl)indol-3-yl]furan-3-carbaldehyde
CID 141107005
3-(4-methoxyphenyl)phthalaldehyde
CID 174870899
2,3-dimethoxy-5-(4-methoxyphenyl)benzaldehyde
CID 82039032
2-(furan-2-yl)-3-(4-methoxyphenyl)furan
CID 175393326
4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 46780459
4-(4-methoxyphenyl)-5-methylpyridine-3-carbaldehyde
CID 11770188
5-chloro-2-(4-methoxyphenyl)benzaldehyde
CID 66159684
6-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 82518162
3-fluoro-2-(4-methoxyphenyl)benzaldehyde
CID 135055449
2-(4-methoxyphenyl)-1-benzofuran-3-carbaldehyde
CID 12550686

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)furan-3-carbaldehyde?
The IUPAC name of 2-(4-methoxyphenyl)furan-3-carbaldehyde (CID 86258825) is 2-(4-methoxyphenyl)furan-3-carbaldehyde.
What is the SMILES notation for 2-(4-methoxyphenyl)furan-3-carbaldehyde?
The canonical SMILES for 2-(4-methoxyphenyl)furan-3-carbaldehyde is COc1ccc(-c2occc2C=O)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)furan-3-carbaldehyde?
The InChIKey is HPQXKLZIPYVEBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O3/c1-14-11-4-2-9(3-5-11)12-10(8-13)6-7-15-12/h2-8H,1H3.
What are the key properties of 2-(4-methoxyphenyl)furan-3-carbaldehyde?
2-(4-methoxyphenyl)furan-3-carbaldehyde has a molecular weight of 202.21 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)furan-3-carbaldehyde is sourced from PubChem (CID 86258825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).