1,1-dimethyl-3H-2-benzofuran-5-ol

C10H12O2 — CID 102002634

IUPAC1,1-dimethyl-3H-2-benzofuran-5-ol
SMILESCC1(C)OCc2cc(O)ccc21
InChIInChI=1S/C10H12O2/c1-10(2)9-4-3-8(11)5-7(9)6-12-10/h3-5,11H,6H2,1-2H3
InChIKeyKQGQBZMWWLQJCQ-UHFFFAOYSA-N
MW164.20 g/mol
LogP2.16
Rot. Bonds

About 1,1-dimethyl-3H-2-benzofuran-5-ol

1,1-dimethyl-3H-2-benzofuran-5-ol (PubChem CID 102002634) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is 1,1-dimethyl-3H-2-benzofuran-5-ol.

Molecular Properties

Compound Name1,1-dimethyl-3H-2-benzofuran-5-ol
PubChem CID102002634
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Name1,1-dimethyl-3H-2-benzofuran-5-ol
SMILESCC1(C)OCc2cc(O)ccc21
InChIInChI=1S/C10H12O2/c1-10(2)9-4-3-8(11)5-7(9)6-12-10/h3-5,11H,6H2,1-2H3
InChIKeyKQGQBZMWWLQJCQ-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,1-dimethyl-3H-2-benzofuran-5-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-dimethyl-3H-2-benzofuran-5-ol?
The IUPAC name of 1,1-dimethyl-3H-2-benzofuran-5-ol (CID 102002634) is 1,1-dimethyl-3H-2-benzofuran-5-ol.
What is the SMILES notation for 1,1-dimethyl-3H-2-benzofuran-5-ol?
The canonical SMILES for 1,1-dimethyl-3H-2-benzofuran-5-ol is CC1(C)OCc2cc(O)ccc21.
What is the InChIKey of 1,1-dimethyl-3H-2-benzofuran-5-ol?
The InChIKey is KQGQBZMWWLQJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c1-10(2)9-4-3-8(11)5-7(9)6-12-10/h3-5,11H,6H2,1-2H3.
What are the key properties of 1,1-dimethyl-3H-2-benzofuran-5-ol?
1,1-dimethyl-3H-2-benzofuran-5-ol has a molecular weight of 164.20 g/mol, XLogP of 2.16, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dimethyl-3H-2-benzofuran-5-ol is sourced from PubChem (CID 102002634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).