4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde

C19H18O3 — CID 59595900

IUPAC4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde
SMILESCCCCOc1ccc2cc(-c3ccc(C=O)cc3)oc2c1
InChIInChI=1S/C19H18O3/c1-2-3-10-21-17-9-8-16-11-18(22-19(16)12-17)15-6-4-14(13-20)5-7-15/h4-9,11-13H,2-3,10H2,1H3
InChIKeyZVRKQQDZGWCGDO-UHFFFAOYSA-N
MW294.35 g/mol
LogP5.09
Rot. Bonds6

About 4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde

4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde (PubChem CID 59595900) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde.

Molecular Properties

Compound Name4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde
PubChem CID59595900
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde
SMILESCCCCOc1ccc2cc(-c3ccc(C=O)cc3)oc2c1
InChIInChI=1S/C19H18O3/c1-2-3-10-21-17-9-8-16-11-18(22-19(16)12-17)15-6-4-14(13-20)5-7-15/h4-9,11-13H,2-3,10H2,1H3
InChIKeyZVRKQQDZGWCGDO-UHFFFAOYSA-N
XLogP5.09
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.35
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethyl 4-[4-(5-formyl-1-benzofuran-2-yl)phenoxy]butanoate
CID 10665674
4-(5-butoxy-1-benzofuran-2-yl)-3-methoxybenzaldehyde
CID 59595871
3-(4-butoxyphenyl)-7-(hydroxymethoxy)chromen-2-one
CID 126606414
2-(4-tert-butylphenyl)-1-benzofuran-6-carbaldehyde
CID 129115921
4-icosoxybenzaldehyde
CID 23127488
[3-(4-butoxyphenyl)-2-oxochromen-7-yl]oxymethyl propanoate
CID 153303627
4-[6-(N-phenylanilino)-1-benzofuran-2-yl]benzaldehyde
CID 129115838
3-acetyl-7-butoxychromen-2-one
CID 166072598
methyl 6-butoxy-1-benzofuran-2-carboxylate
CID 70308418
3-(4-butoxyphenyl)-7-(3-hydroxy-2,2-dimethylpropoxy)chromen-2-one
CID 155262604
5-(4-pentoxyphenyl)furan-2-carbaldehyde
CID 169333298
7-butoxy-3-(4-heptylphenyl)isochromen-1-one
CID 134190942

Frequently Asked Questions

What is the IUPAC name of 4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde?
The IUPAC name of 4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde (CID 59595900) is 4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde.
What is the SMILES notation for 4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde?
The canonical SMILES for 4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde is CCCCOc1ccc2cc(-c3ccc(C=O)cc3)oc2c1.
What is the InChIKey of 4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde?
The InChIKey is ZVRKQQDZGWCGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-2-3-10-21-17-9-8-16-11-18(22-19(16)12-17)15-6-4-14(13-20)5-7-15/h4-9,11-13H,2-3,10H2,1H3.
What are the key properties of 4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde?
4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde has a molecular weight of 294.35 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-butoxy-1-benzofuran-2-yl)benzaldehyde is sourced from PubChem (CID 59595900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).