5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde

C10H6Cl2O2 — CID 135380163

IUPAC5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde
SMILESCc1oc2c(Cl)cc(Cl)cc2c1C=O
InChIInChI=1S/C10H6Cl2O2/c1-5-8(4-13)7-2-6(11)3-9(12)10(7)14-5/h2-4H,1H3
InChIKeyNNQLTCMVIBGVKE-UHFFFAOYSA-N
MW229.06 g/mol
LogP3.86
Rot. Bonds1

About 5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde

5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde (PubChem CID 135380163) has the molecular formula C10H6Cl2O2 and a molecular weight of 229.06 g/mol. Its IUPAC name is 5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde
PubChem CID135380163
Molecular FormulaC10H6Cl2O2
Molecular Weight229.06 g/mol
Exact Mass227.97
IUPAC Name5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde
SMILESCc1oc2c(Cl)cc(Cl)cc2c1C=O
InChIInChI=1S/C10H6Cl2O2/c1-5-8(4-13)7-2-6(11)3-9(12)10(7)14-5/h2-4H,1H3
InChIKeyNNQLTCMVIBGVKE-UHFFFAOYSA-N
XLogP3.86
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.06
LogP ≤ 53.86
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 5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde?
The IUPAC name of 5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde (CID 135380163) is 5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde is Cc1oc2c(Cl)cc(Cl)cc2c1C=O.
What is the InChIKey of 5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde?
The InChIKey is NNQLTCMVIBGVKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2O2/c1-5-8(4-13)7-2-6(11)3-9(12)10(7)14-5/h2-4H,1H3.
What are the key properties of 5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde?
5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde has a molecular weight of 229.06 g/mol, XLogP of 3.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-methyl-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 135380163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).