5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde

C11H9ClO3 — CID 135380692

IUPAC5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde
SMILESCOc1cc(Cl)cc2c(C=O)c(C)oc12
InChIInChI=1S/C11H9ClO3/c1-6-9(5-13)8-3-7(12)4-10(14-2)11(8)15-6/h3-5H,1-2H3
InChIKeyWZGRCSGRURNHRY-UHFFFAOYSA-N
MW224.64 g/mol
LogP3.22
Rot. Bonds2

About 5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde

5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde (PubChem CID 135380692) has the molecular formula C11H9ClO3 and a molecular weight of 224.64 g/mol. Its IUPAC name is 5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde
PubChem CID135380692
Molecular FormulaC11H9ClO3
Molecular Weight224.64 g/mol
Exact Mass224.02
IUPAC Name5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde
SMILESCOc1cc(Cl)cc2c(C=O)c(C)oc12
InChIInChI=1S/C11H9ClO3/c1-6-9(5-13)8-3-7(12)4-10(14-2)11(8)15-6/h3-5H,1-2H3
InChIKeyWZGRCSGRURNHRY-UHFFFAOYSA-N
XLogP3.22
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.64
LogP ≤ 53.22
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

6-chloro-8-methoxy-2-oxochromene-3-carbaldehyde
CID 134990010
5-chloro-7-methoxy-2-methyl-1-benzofuran
CID 135380056
2-acetyl-4-chloro-6-methoxybenzaldehyde
CID 171002394
4-methoxy-2,3-dimethyl-1-benzofuran-7-carbaldehyde
CID 23468872
2,5-dichloro-7-methoxy-1,3-benzoxazole
CID 131003018
3-chloro-2,6-dimethoxybenzaldehyde
CID 15414486
6-chloro-2,3-dimethoxybenzaldehyde
CID 19389247
4,6-dimethoxydibenzofuran-2-carbaldehyde
CID 23559359
4,6-dimethoxy-1-benzofuran-7-carbaldehyde
CID 82396117
2,4-dichloro-6-methoxy-7-methylquinoline-3-carbaldehyde
CID 145204236
6-(2,5-dichlorophenyl)-2,3,4-trimethoxybenzaldehyde
CID 39234327
ethyl 7-formyl-4,6-dimethoxy-1-benzofuran-2-carboxylate
CID 134924711

Frequently Asked Questions

What is the IUPAC name of 5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde?
The IUPAC name of 5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde (CID 135380692) is 5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde is COc1cc(Cl)cc2c(C=O)c(C)oc12.
What is the InChIKey of 5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde?
The InChIKey is WZGRCSGRURNHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO3/c1-6-9(5-13)8-3-7(12)4-10(14-2)11(8)15-6/h3-5H,1-2H3.
What are the key properties of 5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde?
5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde has a molecular weight of 224.64 g/mol, XLogP of 3.22, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-7-methoxy-2-methyl-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 135380692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).