2,2-dimethyl-1,3-benzodioxol-5-ol

C9H10O3 — CID 14204741

IUPAC2,2-dimethyl-1,3-benzodioxol-5-ol
SMILESCC1(C)Oc2ccc(O)cc2O1
InChIInChI=1S/C9H10O3/c1-9(2)11-7-4-3-6(10)5-8(7)12-9/h3-5,10H,1-2H3
InChIKeyKDZFTYMGINYVLP-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.90
Rot. Bonds

About 2,2-dimethyl-1,3-benzodioxol-5-ol

2,2-dimethyl-1,3-benzodioxol-5-ol (PubChem CID 14204741) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is 2,2-dimethyl-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name2,2-dimethyl-1,3-benzodioxol-5-ol
PubChem CID14204741
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Name2,2-dimethyl-1,3-benzodioxol-5-ol
SMILESCC1(C)Oc2ccc(O)cc2O1
InChIInChI=1S/C9H10O3/c1-9(2)11-7-4-3-6(10)5-8(7)12-9/h3-5,10H,1-2H3
InChIKeyKDZFTYMGINYVLP-UHFFFAOYSA-N
XLogP1.90
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1,3-benzodioxol-5-ol?
The IUPAC name of 2,2-dimethyl-1,3-benzodioxol-5-ol (CID 14204741) is 2,2-dimethyl-1,3-benzodioxol-5-ol.
What is the SMILES notation for 2,2-dimethyl-1,3-benzodioxol-5-ol?
The canonical SMILES for 2,2-dimethyl-1,3-benzodioxol-5-ol is CC1(C)Oc2ccc(O)cc2O1.
What is the InChIKey of 2,2-dimethyl-1,3-benzodioxol-5-ol?
The InChIKey is KDZFTYMGINYVLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-9(2)11-7-4-3-6(10)5-8(7)12-9/h3-5,10H,1-2H3.
What are the key properties of 2,2-dimethyl-1,3-benzodioxol-5-ol?
2,2-dimethyl-1,3-benzodioxol-5-ol has a molecular weight of 166.18 g/mol, XLogP of 1.90, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1,3-benzodioxol-5-ol is sourced from PubChem (CID 14204741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).