2,7-dimethyl-3-phenyl-1-benzofuran-6-ol

C16H14O2 — CID 58753788

IUPAC2,7-dimethyl-3-phenyl-1-benzofuran-6-ol
SMILESCc1oc2c(C)c(O)ccc2c1-c1ccccc1
InChIInChI=1S/C16H14O2/c1-10-14(17)9-8-13-15(11(2)18-16(10)13)12-6-4-3-5-7-12/h3-9,17H,1-2H3
InChIKeyLKOFGFLBUHYLET-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.42
Rot. Bonds1

About 2,7-dimethyl-3-phenyl-1-benzofuran-6-ol

2,7-dimethyl-3-phenyl-1-benzofuran-6-ol (PubChem CID 58753788) has the molecular formula C16H14O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2,7-dimethyl-3-phenyl-1-benzofuran-6-ol.

Molecular Properties

Compound Name2,7-dimethyl-3-phenyl-1-benzofuran-6-ol
PubChem CID58753788
Molecular FormulaC16H14O2
Molecular Weight238.29 g/mol
Exact Mass238.10
IUPAC Name2,7-dimethyl-3-phenyl-1-benzofuran-6-ol
SMILESCc1oc2c(C)c(O)ccc2c1-c1ccccc1
InChIInChI=1S/C16H14O2/c1-10-14(17)9-8-13-15(11(2)18-16(10)13)12-6-4-3-5-7-12/h3-9,17H,1-2H3
InChIKeyLKOFGFLBUHYLET-UHFFFAOYSA-N
XLogP4.42
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,7-dimethyl-3-phenyl-1-benzofuran-6-ol?
The IUPAC name of 2,7-dimethyl-3-phenyl-1-benzofuran-6-ol (CID 58753788) is 2,7-dimethyl-3-phenyl-1-benzofuran-6-ol.
What is the SMILES notation for 2,7-dimethyl-3-phenyl-1-benzofuran-6-ol?
The canonical SMILES for 2,7-dimethyl-3-phenyl-1-benzofuran-6-ol is Cc1oc2c(C)c(O)ccc2c1-c1ccccc1.
What is the InChIKey of 2,7-dimethyl-3-phenyl-1-benzofuran-6-ol?
The InChIKey is LKOFGFLBUHYLET-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O2/c1-10-14(17)9-8-13-15(11(2)18-16(10)13)12-6-4-3-5-7-12/h3-9,17H,1-2H3.
What are the key properties of 2,7-dimethyl-3-phenyl-1-benzofuran-6-ol?
2,7-dimethyl-3-phenyl-1-benzofuran-6-ol has a molecular weight of 238.29 g/mol, XLogP of 4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,7-dimethyl-3-phenyl-1-benzofuran-6-ol is sourced from PubChem (CID 58753788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).