5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran

C12H12Cl2O — CID 114733936

IUPAC5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran
SMILESCC(CCl)Cc1cc2cc(Cl)ccc2o1
InChIInChI=1S/C12H12Cl2O/c1-8(7-13)4-11-6-9-5-10(14)2-3-12(9)15-11/h2-3,5-6,8H,4,7H2,1H3
InChIKeyQLEPOFRPMPJRGW-UHFFFAOYSA-N
MW243.13 g/mol
LogP4.50
Rot. Bonds3

About 5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran

5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran (PubChem CID 114733936) has the molecular formula C12H12Cl2O and a molecular weight of 243.13 g/mol. Its IUPAC name is 5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran.

Molecular Properties

Compound Name5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran
PubChem CID114733936
Molecular FormulaC12H12Cl2O
Molecular Weight243.13 g/mol
Exact Mass242.03
IUPAC Name5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran
SMILESCC(CCl)Cc1cc2cc(Cl)ccc2o1
InChIInChI=1S/C12H12Cl2O/c1-8(7-13)4-11-6-9-5-10(14)2-3-12(9)15-11/h2-3,5-6,8H,4,7H2,1H3
InChIKeyQLEPOFRPMPJRGW-UHFFFAOYSA-N
XLogP4.50
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1-bromoethyl)-5-chloro-1-benzofuran
CID 70533490
4-(5-chloro-1-benzofuran-2-yl)-N-propylbutan-2-amine
CID 114733353
2-methyl-3-(5-methyl-1-benzofuran-2-yl)-N-propan-2-ylpropan-1-amine
CID 114733537
5-chloro-2-iodo-1-benzofuran
CID 147151831
1,4-dichloro-2-(3-chloro-2-methylpropyl)benzene
CID 64664629
ethyl 2-(5-chloro-1-benzofuran-2-yl)acetate
CID 82645490
2-(3-bromobutan-2-yl)-5-chloro-1-benzofuran
CID 114732842
3-(1-benzofuran-2-yl)-2-methylpropan-1-amine
CID 114733511
(1S)-1-(5-chloro-1-benzofuran-2-yl)propan-1-ol
CID 96826863
1-(5-chloro-1-benzofuran-2-yl)-N-propylhexan-3-amine
CID 114733405
1-(5-chloro-1-benzofuran-2-yl)-4-methoxypentan-1-ol
CID 105129366
4-amino-1-(5-chloro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114737094

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran?
The IUPAC name of 5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran (CID 114733936) is 5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran.
What is the SMILES notation for 5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran?
The canonical SMILES for 5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran is CC(CCl)Cc1cc2cc(Cl)ccc2o1.
What is the InChIKey of 5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran?
The InChIKey is QLEPOFRPMPJRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2O/c1-8(7-13)4-11-6-9-5-10(14)2-3-12(9)15-11/h2-3,5-6,8H,4,7H2,1H3.
What are the key properties of 5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran?
5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran has a molecular weight of 243.13 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-chloro-2-methylpropyl)-1-benzofuran is sourced from PubChem (CID 114733936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).