2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde

C10H6Cl2O2 — CID 96601537

IUPAC2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde
SMILESCc1ccc(Cl)c2oc(Cl)c(C=O)c12
InChIInChI=1S/C10H6Cl2O2/c1-5-2-3-7(11)9-8(5)6(4-13)10(12)14-9/h2-4H,1H3
InChIKeySWFCJULWWGPPKO-UHFFFAOYSA-N
MW229.06 g/mol
LogP3.86
Rot. Bonds1

About 2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde

2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde (PubChem CID 96601537) has the molecular formula C10H6Cl2O2 and a molecular weight of 229.06 g/mol. Its IUPAC name is 2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde.

Molecular Properties

Compound Name2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde
PubChem CID96601537
Molecular FormulaC10H6Cl2O2
Molecular Weight229.06 g/mol
Exact Mass227.97
IUPAC Name2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde
SMILESCc1ccc(Cl)c2oc(Cl)c(C=O)c12
InChIInChI=1S/C10H6Cl2O2/c1-5-2-3-7(11)9-8(5)6(4-13)10(12)14-9/h2-4H,1H3
InChIKeySWFCJULWWGPPKO-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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Related Compounds

2-bromo-7-chloro-3,4-dimethyl-1-benzofuran
CID 82380182
N-[(3-tert-butyl-7-chloro-4-methyl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376949
N-[(7-chloro-4-methyl-3-propan-2-yl-1-benzofuran-2-yl)methyl]ethanamine
CID 114376933
4-bromo-2-chloro-1-benzofuran-3-carbaldehyde
CID 82380186
2-acetyl-6-chloro-3-methylbenzaldehyde
CID 171004106
2-(2-chlorophenyl)-4,7-dimethyl-1H-indole-3-carbaldehyde
CID 3829817
1-(7-chloro-3-ethyl-4-methyl-1-benzofuran-2-yl)-N-methylmethanamine
CID 104843076
5-chloro-1,3-dimethylindazole-4-carbaldehyde
CID 117109564
4-chloro-2-(2-chlorophenyl)-7-methyl-1H-indole-3-carbaldehyde
CID 3460263
2-(7-chloro-4-methyl-1-benzofuran-3-yl)-N-ethylethanamine
CID 81048073
8-chloro-11-methyl-[1]benzofuro[3,2-f]isoquinoline
CID 163959386
4-chloro-7-methyl-2H-indazole-3-carbaldehyde
CID 24729302

Frequently Asked Questions

What is the IUPAC name of 2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde?
The IUPAC name of 2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde (CID 96601537) is 2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde.
What is the SMILES notation for 2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde?
The canonical SMILES for 2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde is Cc1ccc(Cl)c2oc(Cl)c(C=O)c12.
What is the InChIKey of 2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde?
The InChIKey is SWFCJULWWGPPKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2O2/c1-5-2-3-7(11)9-8(5)6(4-13)10(12)14-9/h2-4H,1H3.
What are the key properties of 2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde?
2,7-dichloro-4-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 2,7-dichloro-4-methyl-1-benzofuran-3-carbaldehyde is sourced from PubChem (CID 96601537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).