(6,7-dimethyl-1,3-benzodioxol-4-yl)methanol

C10H12O3 — CID 117278326

IUPAC(6,7-dimethyl-1,3-benzodioxol-4-yl)methanol
SMILESCc1cc(CO)c2c(c1C)OCO2
InChIInChI=1S/C10H12O3/c1-6-3-8(4-11)10-9(7(6)2)12-5-13-10/h3,11H,4-5H2,1-2H3
InChIKeyRFWXCFBOSBCNJP-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.52
Rot. Bonds1

About (6,7-dimethyl-1,3-benzodioxol-4-yl)methanol

(6,7-dimethyl-1,3-benzodioxol-4-yl)methanol (PubChem CID 117278326) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is (6,7-dimethyl-1,3-benzodioxol-4-yl)methanol.

Molecular Properties

Compound Name(6,7-dimethyl-1,3-benzodioxol-4-yl)methanol
PubChem CID117278326
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Name(6,7-dimethyl-1,3-benzodioxol-4-yl)methanol
SMILESCc1cc(CO)c2c(c1C)OCO2
InChIInChI=1S/C10H12O3/c1-6-3-8(4-11)10-9(7(6)2)12-5-13-10/h3,11H,4-5H2,1-2H3
InChIKeyRFWXCFBOSBCNJP-UHFFFAOYSA-N
XLogP1.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (6,7-dimethyl-1,3-benzodioxol-4-yl)methanol?
The IUPAC name of (6,7-dimethyl-1,3-benzodioxol-4-yl)methanol (CID 117278326) is (6,7-dimethyl-1,3-benzodioxol-4-yl)methanol.
What is the SMILES notation for (6,7-dimethyl-1,3-benzodioxol-4-yl)methanol?
The canonical SMILES for (6,7-dimethyl-1,3-benzodioxol-4-yl)methanol is Cc1cc(CO)c2c(c1C)OCO2.
What is the InChIKey of (6,7-dimethyl-1,3-benzodioxol-4-yl)methanol?
The InChIKey is RFWXCFBOSBCNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-6-3-8(4-11)10-9(7(6)2)12-5-13-10/h3,11H,4-5H2,1-2H3.
What are the key properties of (6,7-dimethyl-1,3-benzodioxol-4-yl)methanol?
(6,7-dimethyl-1,3-benzodioxol-4-yl)methanol has a molecular weight of 180.20 g/mol, XLogP of 1.52, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6,7-dimethyl-1,3-benzodioxol-4-yl)methanol is sourced from PubChem (CID 117278326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).