3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol

C10H16O3 — CID 130127608

IUPAC3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol
SMILESCC1CCC2=C(C1)OC(O)C2(C)O
InChIInChI=1S/C10H16O3/c1-6-3-4-7-8(5-6)13-9(11)10(7,2)12/h6,9,11-12H,3-5H2,1-2H3
InChIKeyDWVQXDATVLCPAE-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.16
Rot. Bonds

About 3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol

3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol (PubChem CID 130127608) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is 3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol.

Molecular Properties

Compound Name3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol
PubChem CID130127608
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol
SMILESCC1CCC2=C(C1)OC(O)C2(C)O
InChIInChI=1S/C10H16O3/c1-6-3-4-7-8(5-6)13-9(11)10(7,2)12/h6,9,11-12H,3-5H2,1-2H3
InChIKeyDWVQXDATVLCPAE-UHFFFAOYSA-N
XLogP1.16
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol?
The IUPAC name of 3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol (CID 130127608) is 3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol.
What is the SMILES notation for 3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol?
The canonical SMILES for 3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol is CC1CCC2=C(C1)OC(O)C2(C)O.
What is the InChIKey of 3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol?
The InChIKey is DWVQXDATVLCPAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-6-3-4-7-8(5-6)13-9(11)10(7,2)12/h6,9,11-12H,3-5H2,1-2H3.
What are the key properties of 3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol?
3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol has a molecular weight of 184.23 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dimethyl-4,5,6,7-tetrahydro-2H-1-benzofuran-2,3-diol is sourced from PubChem (CID 130127608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).