1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol

C13H14Cl2O2 — CID 65426506

IUPAC1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cc2ccc(Cl)c(Cl)c2o1
InChIInChI=1S/C13H14Cl2O2/c1-13(2,3)12(16)9-6-7-4-5-8(14)10(15)11(7)17-9/h4-6,12,16H,1-3H3
InChIKeyZDLNYQKXXJGEOP-UHFFFAOYSA-N
MW273.16 g/mol
LogP4.82
Rot. Bonds1

About 1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol

1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol (PubChem CID 65426506) has the molecular formula C13H14Cl2O2 and a molecular weight of 273.16 g/mol. Its IUPAC name is 1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
PubChem CID65426506
Molecular FormulaC13H14Cl2O2
Molecular Weight273.16 g/mol
Exact Mass272.04
IUPAC Name1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
SMILESCC(C)(C)C(O)c1cc2ccc(Cl)c(Cl)c2o1
InChIInChI=1S/C13H14Cl2O2/c1-13(2,3)12(16)9-6-7-4-5-8(14)10(15)11(7)17-9/h4-6,12,16H,1-3H3
InChIKeyZDLNYQKXXJGEOP-UHFFFAOYSA-N
XLogP4.82
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(7-chloro-4-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438982
1-(5-chlorobenzo[g][1]benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65441077
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylethanamine
CID 65440531
1-(7-bromo-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65438582
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethyl-2-methylpropan-1-amine
CID 65440192
1-(6,7-dichloro-1-benzofuran-2-yl)butan-1-amine
CID 65439823
6,7-dichloro-2-methyl-1-benzofuran
CID 102472280
1-(6,7-dichloro-1-benzofuran-2-yl)-2-methyl-N-propylpropan-1-amine
CID 65440193
1-(6,7-dichloro-1-benzofuran-2-yl)-N-ethylethanamine
CID 65440530
1-(6,7-dichloro-1-benzofuran-2-yl)-N-methylpropan-1-amine
CID 65440191
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)ethanol
CID 116690892
1-(7-bromo-5-methyl-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol
CID 65441066

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The IUPAC name of 1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol (CID 65426506) is 1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The canonical SMILES for 1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol is CC(C)(C)C(O)c1cc2ccc(Cl)c(Cl)c2o1.
What is the InChIKey of 1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
The InChIKey is ZDLNYQKXXJGEOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2O2/c1-13(2,3)12(16)9-6-7-4-5-8(14)10(15)11(7)17-9/h4-6,12,16H,1-3H3.
What are the key properties of 1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol?
1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol has a molecular weight of 273.16 g/mol, XLogP of 4.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dichloro-1-benzofuran-2-yl)-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 65426506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).