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

C10H12O2 — CID 21485219

IUPAC3,3-dimethyl-2H-1-benzofuran-6-ol
SMILESCC1(C)COc2cc(O)ccc21
InChIInChI=1S/C10H12O2/c1-10(2)6-12-9-5-7(11)3-4-8(9)10/h3-5,11H,6H2,1-2H3
InChIKeyKNDBEMPTKKKYOJ-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.06
Rot. Bonds

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

3,3-dimethyl-2H-1-benzofuran-6-ol (PubChem CID 21485219) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 3,3-dimethyl-2H-1-benzofuran-6-ol.

Molecular Properties

Compound Name3,3-dimethyl-2H-1-benzofuran-6-ol
PubChem CID21485219
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name3,3-dimethyl-2H-1-benzofuran-6-ol
SMILESCC1(C)COc2cc(O)ccc21
InChIInChI=1S/C10H12O2/c1-10(2)6-12-9-5-7(11)3-4-8(9)10/h3-5,11H,6H2,1-2H3
InChIKeyKNDBEMPTKKKYOJ-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2H-1-benzofuran-6-ol?
The IUPAC name of 3,3-dimethyl-2H-1-benzofuran-6-ol (CID 21485219) is 3,3-dimethyl-2H-1-benzofuran-6-ol.
What is the SMILES notation for 3,3-dimethyl-2H-1-benzofuran-6-ol?
The canonical SMILES for 3,3-dimethyl-2H-1-benzofuran-6-ol is CC1(C)COc2cc(O)ccc21.
What is the InChIKey of 3,3-dimethyl-2H-1-benzofuran-6-ol?
The InChIKey is KNDBEMPTKKKYOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-10(2)6-12-9-5-7(11)3-4-8(9)10/h3-5,11H,6H2,1-2H3.
What are the key properties of 3,3-dimethyl-2H-1-benzofuran-6-ol?
3,3-dimethyl-2H-1-benzofuran-6-ol has a molecular weight of 164.20 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2H-1-benzofuran-6-ol is sourced from PubChem (CID 21485219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).