1,3-benzodioxol-5-ylmethanol

C8H8O3 — CID 10322

IUPAC1,3-benzodioxol-5-ylmethanol
SMILESOCc1ccc2c(c1)OCO2
InChIInChI=1S/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2
InChIKeyBHUIUXNAPJIDOG-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.91
Rot. Bonds1

About 1,3-benzodioxol-5-ylmethanol

1,3-benzodioxol-5-ylmethanol (PubChem CID 10322) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is 1,3-benzodioxol-5-ylmethanol.

Molecular Properties

Compound Name1,3-benzodioxol-5-ylmethanol
PubChem CID10322
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Name1,3-benzodioxol-5-ylmethanol
SMILESOCc1ccc2c(c1)OCO2
InChIInChI=1S/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2
InChIKeyBHUIUXNAPJIDOG-UHFFFAOYSA-N
XLogP0.91
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Piperonyl Butoxide
CID 5794
Safrole
CID 5144
Stiripentol
CID 5311454
Isosafrole
CID 637796
Myristicin
CID 4276
Methoxyhydroxyphenylglycol
CID 10805
Vanillyl alcohol
CID 62348
Piperonyl acetate
CID 9473
Piperonylidene acetone
CID 6040503
Apiole
CID 10659
Coniferin
CID 5280372
alpha-Ethenyl-1,3-benzodioxole-5-methanol
CID 21268

Frequently Asked Questions

What is the IUPAC name of 1,3-benzodioxol-5-ylmethanol?
The IUPAC name of 1,3-benzodioxol-5-ylmethanol (CID 10322) is 1,3-benzodioxol-5-ylmethanol.
What is the SMILES notation for 1,3-benzodioxol-5-ylmethanol?
The canonical SMILES for 1,3-benzodioxol-5-ylmethanol is OCc1ccc2c(c1)OCO2.
What is the InChIKey of 1,3-benzodioxol-5-ylmethanol?
The InChIKey is BHUIUXNAPJIDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c9-4-6-1-2-7-8(3-6)11-5-10-7/h1-3,9H,4-5H2.
What are the key properties of 1,3-benzodioxol-5-ylmethanol?
1,3-benzodioxol-5-ylmethanol has a molecular weight of 152.15 g/mol, XLogP of 0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-benzodioxol-5-ylmethanol is sourced from PubChem (CID 10322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).