2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde

C10H7ClO3 — CID 83885197

IUPAC2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde
SMILESO=CCc1ccc2cc(Cl)oc2c1O
InChIInChI=1S/C10H7ClO3/c11-8-5-7-2-1-6(3-4-12)9(13)10(7)14-8/h1-2,4-5,13H,3H2
InChIKeyBTEZHRHEKSGYKA-UHFFFAOYSA-N
MW210.62 g/mol
LogP2.53
Rot. Bonds2

About 2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde

2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde (PubChem CID 83885197) has the molecular formula C10H7ClO3 and a molecular weight of 210.62 g/mol. Its IUPAC name is 2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde.

Molecular Properties

Compound Name2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde
PubChem CID83885197
Molecular FormulaC10H7ClO3
Molecular Weight210.62 g/mol
Exact Mass210.01
IUPAC Name2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde
SMILESO=CCc1ccc2cc(Cl)oc2c1O
InChIInChI=1S/C10H7ClO3/c11-8-5-7-2-1-6(3-4-12)9(13)10(7)14-8/h1-2,4-5,13H,3H2
InChIKeyBTEZHRHEKSGYKA-UHFFFAOYSA-N
XLogP2.53
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.62
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde?
The IUPAC name of 2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde (CID 83885197) is 2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde.
What is the SMILES notation for 2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde?
The canonical SMILES for 2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde is O=CCc1ccc2cc(Cl)oc2c1O.
What is the InChIKey of 2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde?
The InChIKey is BTEZHRHEKSGYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClO3/c11-8-5-7-2-1-6(3-4-12)9(13)10(7)14-8/h1-2,4-5,13H,3H2.
What are the key properties of 2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde?
2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde has a molecular weight of 210.62 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-7-hydroxy-1-benzofuran-6-yl)acetaldehyde is sourced from PubChem (CID 83885197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).