6-(1-phenylethyl)-1,3-benzodioxol-5-ol

C15H14O3 — CID 13035012

IUPAC6-(1-phenylethyl)-1,3-benzodioxol-5-ol
SMILESCC(c1ccccc1)c1cc2c(cc1O)OCO2
InChIInChI=1S/C15H14O3/c1-10(11-5-3-2-4-6-11)12-7-14-15(8-13(12)16)18-9-17-14/h2-8,10,16H,9H2,1H3
InChIKeyBWAVINRZBCEJBE-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.27
Rot. Bonds2

About 6-(1-phenylethyl)-1,3-benzodioxol-5-ol

6-(1-phenylethyl)-1,3-benzodioxol-5-ol (PubChem CID 13035012) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is 6-(1-phenylethyl)-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-(1-phenylethyl)-1,3-benzodioxol-5-ol
PubChem CID13035012
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Name6-(1-phenylethyl)-1,3-benzodioxol-5-ol
SMILESCC(c1ccccc1)c1cc2c(cc1O)OCO2
InChIInChI=1S/C15H14O3/c1-10(11-5-3-2-4-6-11)12-7-14-15(8-13(12)16)18-9-17-14/h2-8,10,16H,9H2,1H3
InChIKeyBWAVINRZBCEJBE-UHFFFAOYSA-N
XLogP3.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylethyl)-1,3-benzodioxol-5-ol?
The IUPAC name of 6-(1-phenylethyl)-1,3-benzodioxol-5-ol (CID 13035012) is 6-(1-phenylethyl)-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-(1-phenylethyl)-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-(1-phenylethyl)-1,3-benzodioxol-5-ol is CC(c1ccccc1)c1cc2c(cc1O)OCO2.
What is the InChIKey of 6-(1-phenylethyl)-1,3-benzodioxol-5-ol?
The InChIKey is BWAVINRZBCEJBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-10(11-5-3-2-4-6-11)12-7-14-15(8-13(12)16)18-9-17-14/h2-8,10,16H,9H2,1H3.
What are the key properties of 6-(1-phenylethyl)-1,3-benzodioxol-5-ol?
6-(1-phenylethyl)-1,3-benzodioxol-5-ol has a molecular weight of 242.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylethyl)-1,3-benzodioxol-5-ol is sourced from PubChem (CID 13035012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).