2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde

C11H10O3 — CID 117195628

IUPAC2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde
SMILESCOc1ccc2occ(CC=O)c2c1
InChIInChI=1S/C11H10O3/c1-13-9-2-3-11-10(6-9)8(4-5-12)7-14-11/h2-3,5-7H,4H2,1H3
InChIKeyGYNHKRUSANLXAS-UHFFFAOYSA-N
MW190.20 g/mol
LogP2.18
Rot. Bonds3

About 2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde

2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde (PubChem CID 117195628) has the molecular formula C11H10O3 and a molecular weight of 190.20 g/mol. Its IUPAC name is 2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde
PubChem CID117195628
Molecular FormulaC11H10O3
Molecular Weight190.20 g/mol
Exact Mass190.06
IUPAC Name2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde
SMILESCOc1ccc2occ(CC=O)c2c1
InChIInChI=1S/C11H10O3/c1-13-9-2-3-11-10(6-9)8(4-5-12)7-14-11/h2-3,5-7H,4H2,1H3
InChIKeyGYNHKRUSANLXAS-UHFFFAOYSA-N
XLogP2.18
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 52.18
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

5-methoxy-1-benzofuran-3-carbaldehyde
CID 25131833
3-(5-methoxy-1-benzofuran-3-yl)propanoate
CID 6921490
2-(4,6-dimethoxynaphthalen-1-yl)acetaldehyde
CID 57172465
2-(2-iodo-5-methoxyphenyl)acetaldehyde
CID 18627927
2-(5-methoxy-1-benzofuran-3-yl)-1-pyrrolidin-1-ylethanone
CID 110488784
N-(2-hydroxyethyl)-2-(5-methoxy-1-benzofuran-3-yl)-N-methylacetamide
CID 110488782
N-(1-hydroxy-2-methylpropan-2-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 110488794
N-(2,5-dimethylpyrrol-1-yl)-2-(5-methoxy-1-benzofuran-3-yl)acetamide
CID 167531222
2-(2-chloro-4-methoxyphenyl)acetaldehyde
CID 55274760
2-(5-methoxy-1-benzofuran-3-yl)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethanone
CID 18860283
methyl (2S)-2-[[2-(8-methoxybenzo[e][1]benzofuran-1-yl)acetyl]amino]propanoate
CID 102352082
2-(5-methoxy-1-benzofuran-3-yl)-N-naphthalen-2-ylacetamide
CID 18860246

Frequently Asked Questions

What is the IUPAC name of 2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde?
The IUPAC name of 2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde (CID 117195628) is 2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde?
The canonical SMILES for 2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde is COc1ccc2occ(CC=O)c2c1.
What is the InChIKey of 2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde?
The InChIKey is GYNHKRUSANLXAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10O3/c1-13-9-2-3-11-10(6-9)8(4-5-12)7-14-11/h2-3,5-7H,4H2,1H3.
What are the key properties of 2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde?
2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde has a molecular weight of 190.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methoxy-1-benzofuran-3-yl)acetaldehyde is sourced from PubChem (CID 117195628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).