2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde

C11H12O3 — CID 130690343

IUPAC2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde
SMILESCOC(C=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C11H12O3/c1-13-11(7-12)8-2-3-10-9(6-8)4-5-14-10/h2-3,6-7,11H,4-5H2,1H3
InChIKeyBFCAPSKHOSQKMS-UHFFFAOYSA-N
MW192.21 g/mol
LogP1.51
Rot. Bonds3

About 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde

2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde (PubChem CID 130690343) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde.

Molecular Properties

Compound Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde
PubChem CID130690343
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Name2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde
SMILESCOC(C=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C11H12O3/c1-13-11(7-12)8-2-3-10-9(6-8)4-5-14-10/h2-3,6-7,11H,4-5H2,1H3
InChIKeyBFCAPSKHOSQKMS-UHFFFAOYSA-N
XLogP1.51
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 51.51
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

1-(2,3-dihydro-1-benzofuran-5-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914533
1-(2,3-dihydro-1-benzofuran-5-yl)-2,2-dimethoxyethanamine
CID 104542714
1-(3,4-dihydro-2H-chromen-6-yl)-1-methoxy-N,N-dimethylmethanamine
CID 116914506
2-acetyloxy-2-(2,3-dihydro-1-benzofuran-5-yl)acetic acid
CID 23335826
5-propan-2-yl-2,3-dihydro-1-benzofuran;6-propan-2-yl-2,3-dihydro-1-benzofuran
CID 158005969
[1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxypropyl]hydrazine
CID 105247108
2-(2,3-dihydro-1-benzofuran-5-yl)-2-hydroxyacetamide
CID 62225836
1-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyethanol
CID 79567949
2-[1-(2,3-dihydro-1-benzofuran-5-yl)ethylamino]propanamide
CID 43777118
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-2,3-dihydroxypropanoate
CID 171864210
1-(2,3-dihydro-1-benzofuran-5-yl)-N,N'-dimethylmethanediamine
CID 116954398
5-butan-2-yl-2,3-dihydro-1-benzofuran
CID 89176252

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde?
The IUPAC name of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde (CID 130690343) is 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde.
What is the SMILES notation for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde?
The canonical SMILES for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde is COC(C=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde?
The InChIKey is BFCAPSKHOSQKMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O3/c1-13-11(7-12)8-2-3-10-9(6-8)4-5-14-10/h2-3,6-7,11H,4-5H2,1H3.
What are the key properties of 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde?
2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde has a molecular weight of 192.21 g/mol, XLogP of 1.51, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1-benzofuran-5-yl)-2-methoxyacetaldehyde is sourced from PubChem (CID 130690343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).