1,3-dihydro-2-benzofuran-5-carbaldehyde

C9H8O2 — CID 11389470

IUPAC1,3-dihydro-2-benzofuran-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)COC2
InChIInChI=1S/C9H8O2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-4H,5-6H2
InChIKeyWAYCQEPIQNTRDJ-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.53
Rot. Bonds1

About 1,3-dihydro-2-benzofuran-5-carbaldehyde

1,3-dihydro-2-benzofuran-5-carbaldehyde (PubChem CID 11389470) has the molecular formula C9H8O2 and a molecular weight of 148.16 g/mol. Its IUPAC name is 1,3-dihydro-2-benzofuran-5-carbaldehyde.

Molecular Properties

Compound Name1,3-dihydro-2-benzofuran-5-carbaldehyde
PubChem CID11389470
Molecular FormulaC9H8O2
Molecular Weight148.16 g/mol
Exact Mass148.05
IUPAC Name1,3-dihydro-2-benzofuran-5-carbaldehyde
SMILESO=Cc1ccc2c(c1)COC2
InChIInChI=1S/C9H8O2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-4H,5-6H2
InChIKeyWAYCQEPIQNTRDJ-UHFFFAOYSA-N
XLogP1.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-dihydro-2-benzofuran-5-carbaldehyde?
The IUPAC name of 1,3-dihydro-2-benzofuran-5-carbaldehyde (CID 11389470) is 1,3-dihydro-2-benzofuran-5-carbaldehyde.
What is the SMILES notation for 1,3-dihydro-2-benzofuran-5-carbaldehyde?
The canonical SMILES for 1,3-dihydro-2-benzofuran-5-carbaldehyde is O=Cc1ccc2c(c1)COC2.
What is the InChIKey of 1,3-dihydro-2-benzofuran-5-carbaldehyde?
The InChIKey is WAYCQEPIQNTRDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O2/c10-4-7-1-2-8-5-11-6-9(8)3-7/h1-4H,5-6H2.
What are the key properties of 1,3-dihydro-2-benzofuran-5-carbaldehyde?
1,3-dihydro-2-benzofuran-5-carbaldehyde has a molecular weight of 148.16 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dihydro-2-benzofuran-5-carbaldehyde is sourced from PubChem (CID 11389470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).