5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol

C11H12Cl2O2 — CID 83048227

IUPAC5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol
SMILESCCCC1Oc2c(Cl)cc(Cl)cc2C1O
InChIInChI=1S/C11H12Cl2O2/c1-2-3-9-10(14)7-4-6(12)5-8(13)11(7)15-9/h4-5,9-10,14H,2-3H2,1H3
InChIKeyIBUFNGIULAHLBQ-UHFFFAOYSA-N
MW247.12 g/mol
LogP3.59
Rot. Bonds2

About 5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol

5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 83048227) has the molecular formula C11H12Cl2O2 and a molecular weight of 247.12 g/mol. Its IUPAC name is 5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol
PubChem CID83048227
Molecular FormulaC11H12Cl2O2
Molecular Weight247.12 g/mol
Exact Mass246.02
IUPAC Name5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol
SMILESCCCC1Oc2c(Cl)cc(Cl)cc2C1O
InChIInChI=1S/C11H12Cl2O2/c1-2-3-9-10(14)7-4-6(12)5-8(13)11(7)15-9/h4-5,9-10,14H,2-3H2,1H3
InChIKeyIBUFNGIULAHLBQ-UHFFFAOYSA-N
XLogP3.59
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.12
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol (CID 83048227) is 5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol is CCCC1Oc2c(Cl)cc(Cl)cc2C1O.
What is the InChIKey of 5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is IBUFNGIULAHLBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2/c1-2-3-9-10(14)7-4-6(12)5-8(13)11(7)15-9/h4-5,9-10,14H,2-3H2,1H3.
What are the key properties of 5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol?
5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 247.12 g/mol, XLogP of 3.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-propyl-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 83048227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).