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

C9H7ClO2 — CID 117201907

IUPAC5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde
SMILESO=CC1COc2ccc(Cl)cc21
InChIInChI=1S/C9H7ClO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-4,6H,5H2
InChIKeyANSTWBGZNPLCQG-UHFFFAOYSA-N
MW182.61 g/mol
LogP2.01
Rot. Bonds1

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

5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde (PubChem CID 117201907) has the molecular formula C9H7ClO2 and a molecular weight of 182.61 g/mol. Its IUPAC name is 5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde
PubChem CID117201907
Molecular FormulaC9H7ClO2
Molecular Weight182.61 g/mol
Exact Mass182.01
IUPAC Name5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde
SMILESO=CC1COc2ccc(Cl)cc21
InChIInChI=1S/C9H7ClO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-4,6H,5H2
InChIKeyANSTWBGZNPLCQG-UHFFFAOYSA-N
XLogP2.01
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.61
LogP ≤ 52.01
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 5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde?
The IUPAC name of 5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde (CID 117201907) is 5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde is O=CC1COc2ccc(Cl)cc21.
What is the InChIKey of 5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde?
The InChIKey is ANSTWBGZNPLCQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClO2/c10-7-1-2-9-8(3-7)6(4-11)5-12-9/h1-4,6H,5H2.
What are the key properties of 5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde?
5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde has a molecular weight of 182.61 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,3-dihydro-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 117201907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).