6-benzyl-1,3-benzodioxol-5-ol

C14H12O3 — CID 14640212

IUPAC6-benzyl-1,3-benzodioxol-5-ol
SMILESOc1cc2c(cc1Cc1ccccc1)OCO2
InChIInChI=1S/C14H12O3/c15-12-8-14-13(16-9-17-14)7-11(12)6-10-4-2-1-3-5-10/h1-5,7-8,15H,6,9H2
InChIKeyDADMXFLBMWIAAZ-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.71
Rot. Bonds2

About 6-benzyl-1,3-benzodioxol-5-ol

6-benzyl-1,3-benzodioxol-5-ol (PubChem CID 14640212) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 6-benzyl-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-benzyl-1,3-benzodioxol-5-ol
PubChem CID14640212
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name6-benzyl-1,3-benzodioxol-5-ol
SMILESOc1cc2c(cc1Cc1ccccc1)OCO2
InChIInChI=1S/C14H12O3/c15-12-8-14-13(16-9-17-14)7-11(12)6-10-4-2-1-3-5-10/h1-5,7-8,15H,6,9H2
InChIKeyDADMXFLBMWIAAZ-UHFFFAOYSA-N
XLogP2.71
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-fluorophenyl)methyl]-1,3-benzodioxol-5-ol
CID 102584547
6-[(3,4-dimethoxyphenyl)methyl]-1,3-benzodioxol-5-ol
CID 71517955
6-(bromomethyl)-1,3-benzodioxol-5-ol
CID 130132308
2-[2-(6-benzyl-1,3-benzodioxol-5-yl)ethylsulfanyl]acetic acid
CID 14514946
6-[(dimethylamino)methyl]-1,3-benzodioxol-5-ol
CID 12032543
sodium 2-[2-(6-benzyl-1,3-benzodioxol-5-yl)ethylsulfanyl]acetate
CID 23694544
2-benzyl-4,5-ditert-butylphenol
CID 21430785
N-(1,3-benzodioxol-5-ylmethyl)-N-benzylhydroxylamine
CID 86077029
6-benzhydryl-1,3-benzodioxol-5-ol
CID 139494942
2-benzylphenol;ethane
CID 91068983
lithium;2-benzylphenol;hydride
CID 174706000
1,3-benzodioxol-5-yl 2-benzylbenzoate
CID 7913534

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-1,3-benzodioxol-5-ol?
The IUPAC name of 6-benzyl-1,3-benzodioxol-5-ol (CID 14640212) is 6-benzyl-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-benzyl-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-benzyl-1,3-benzodioxol-5-ol is Oc1cc2c(cc1Cc1ccccc1)OCO2.
What is the InChIKey of 6-benzyl-1,3-benzodioxol-5-ol?
The InChIKey is DADMXFLBMWIAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-12-8-14-13(16-9-17-14)7-11(12)6-10-4-2-1-3-5-10/h1-5,7-8,15H,6,9H2.
What are the key properties of 6-benzyl-1,3-benzodioxol-5-ol?
6-benzyl-1,3-benzodioxol-5-ol has a molecular weight of 228.25 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-1,3-benzodioxol-5-ol is sourced from PubChem (CID 14640212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).