2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol

C10H12O2 — CID 13013063

IUPAC2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol
SMILESCc1ccc2c(c1)OC(C)C2O
InChIInChI=1S/C10H12O2/c1-6-3-4-8-9(5-6)12-7(2)10(8)11/h3-5,7,10-11H,1-2H3
InChIKeyXLHAVLYJVZOCEE-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.81
Rot. Bonds

About 2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol

2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol (PubChem CID 13013063) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol.

Molecular Properties

Compound Name2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol
PubChem CID13013063
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol
SMILESCc1ccc2c(c1)OC(C)C2O
InChIInChI=1S/C10H12O2/c1-6-3-4-8-9(5-6)12-7(2)10(8)11/h3-5,7,10-11H,1-2H3
InChIKeyXLHAVLYJVZOCEE-UHFFFAOYSA-N
XLogP1.81
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol?
The IUPAC name of 2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol (CID 13013063) is 2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol.
What is the SMILES notation for 2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol?
The canonical SMILES for 2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol is Cc1ccc2c(c1)OC(C)C2O.
What is the InChIKey of 2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol?
The InChIKey is XLHAVLYJVZOCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-6-3-4-8-9(5-6)12-7(2)10(8)11/h3-5,7,10-11H,1-2H3.
What are the key properties of 2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol?
2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol has a molecular weight of 164.20 g/mol, XLogP of 1.81, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-2,3-dihydro-1-benzofuran-3-ol is sourced from PubChem (CID 13013063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).