4-(furan-3-yl)-5-methylfuran-2-carbaldehyde

C10H8O3 — CID 96630197

IUPAC4-(furan-3-yl)-5-methylfuran-2-carbaldehyde
SMILESCc1oc(C=O)cc1-c1ccoc1
InChIInChI=1S/C10H8O3/c1-7-10(4-9(5-11)13-7)8-2-3-12-6-8/h2-6H,1H3
InChIKeyUFVDAAIEOURXKP-UHFFFAOYSA-N
MW176.17 g/mol
LogP2.66
Rot. Bonds2

About 4-(furan-3-yl)-5-methylfuran-2-carbaldehyde

4-(furan-3-yl)-5-methylfuran-2-carbaldehyde (PubChem CID 96630197) has the molecular formula C10H8O3 and a molecular weight of 176.17 g/mol. Its IUPAC name is 4-(furan-3-yl)-5-methylfuran-2-carbaldehyde.

Molecular Properties

Compound Name4-(furan-3-yl)-5-methylfuran-2-carbaldehyde
PubChem CID96630197
Molecular FormulaC10H8O3
Molecular Weight176.17 g/mol
Exact Mass176.05
IUPAC Name4-(furan-3-yl)-5-methylfuran-2-carbaldehyde
SMILESCc1oc(C=O)cc1-c1ccoc1
InChIInChI=1S/C10H8O3/c1-7-10(4-9(5-11)13-7)8-2-3-12-6-8/h2-6H,1H3
InChIKeyUFVDAAIEOURXKP-UHFFFAOYSA-N
XLogP2.66
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.17
LogP ≤ 52.66
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

Furil
CID 68119
Ircinin 1
CID 54702820
2,4-Difurfurylfuran
CID 53423642
2-Propyn-1-one, 1-(2-furanyl)-3-phenyl-
CID 200953
Elsholtziaketone
CID 521240
1-(3-Methyl-2-furanyl)ethanone
CID 12281224
5-Benzyl-furan-2-carboxylic acid methyl ester
CID 766979
Ircinin
CID 54679359
2-Benzofurancarboxaldehyde, 5-methoxy-
CID 31663
5-(4-Methylphenyl)-2-furaldehyde
CID 960137
5-Phenyl-2-furaldehyde
CID 2769420
2,2'-Bifuran
CID 80006

Frequently Asked Questions

What is the IUPAC name of 4-(furan-3-yl)-5-methylfuran-2-carbaldehyde?
The IUPAC name of 4-(furan-3-yl)-5-methylfuran-2-carbaldehyde (CID 96630197) is 4-(furan-3-yl)-5-methylfuran-2-carbaldehyde.
What is the SMILES notation for 4-(furan-3-yl)-5-methylfuran-2-carbaldehyde?
The canonical SMILES for 4-(furan-3-yl)-5-methylfuran-2-carbaldehyde is Cc1oc(C=O)cc1-c1ccoc1.
What is the InChIKey of 4-(furan-3-yl)-5-methylfuran-2-carbaldehyde?
The InChIKey is UFVDAAIEOURXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8O3/c1-7-10(4-9(5-11)13-7)8-2-3-12-6-8/h2-6H,1H3.
What are the key properties of 4-(furan-3-yl)-5-methylfuran-2-carbaldehyde?
4-(furan-3-yl)-5-methylfuran-2-carbaldehyde has a molecular weight of 176.17 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(furan-3-yl)-5-methylfuran-2-carbaldehyde is sourced from PubChem (CID 96630197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).