2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol

C17H15ClO2 — CID 168815198

IUPAC2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol
SMILESCC(C)(O)c1c(Cl)cccc1-c1cc2ccccc2o1
InChIInChI=1S/C17H15ClO2/c1-17(2,19)16-12(7-5-8-13(16)18)15-10-11-6-3-4-9-14(11)20-15/h3-10,19H,1-2H3
InChIKeyUFBRHURVBWGGFA-UHFFFAOYSA-N
MW286.76 g/mol
LogP4.98
Rot. Bonds2

About 2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol

2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol (PubChem CID 168815198) has the molecular formula C17H15ClO2 and a molecular weight of 286.76 g/mol. Its IUPAC name is 2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol
PubChem CID168815198
Molecular FormulaC17H15ClO2
Molecular Weight286.76 g/mol
Exact Mass286.08
IUPAC Name2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol
SMILESCC(C)(O)c1c(Cl)cccc1-c1cc2ccccc2o1
InChIInChI=1S/C17H15ClO2/c1-17(2,19)16-12(7-5-8-13(16)18)15-10-11-6-3-4-9-14(11)20-15/h3-10,19H,1-2H3
InChIKeyUFBRHURVBWGGFA-UHFFFAOYSA-N
XLogP4.98
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.76
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol?
The IUPAC name of 2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol (CID 168815198) is 2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol.
What is the SMILES notation for 2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol?
The canonical SMILES for 2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol is CC(C)(O)c1c(Cl)cccc1-c1cc2ccccc2o1.
What is the InChIKey of 2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol?
The InChIKey is UFBRHURVBWGGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClO2/c1-17(2,19)16-12(7-5-8-13(16)18)15-10-11-6-3-4-9-14(11)20-15/h3-10,19H,1-2H3.
What are the key properties of 2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol?
2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol has a molecular weight of 286.76 g/mol, XLogP of 4.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-benzofuran-2-yl)-6-chlorophenyl]propan-2-ol is sourced from PubChem (CID 168815198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).