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

C20H16O3 — CID 139494942

IUPAC6-benzhydryl-1,3-benzodioxol-5-ol
SMILESOc1cc2c(cc1C(c1ccccc1)c1ccccc1)OCO2
InChIInChI=1S/C20H16O3/c21-17-12-19-18(22-13-23-19)11-16(17)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,20-21H,13H2
InChIKeySMYVSHZPXDNLCE-UHFFFAOYSA-N
MW304.35 g/mol
LogP4.30
Rot. Bonds3

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

6-benzhydryl-1,3-benzodioxol-5-ol (PubChem CID 139494942) has the molecular formula C20H16O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is 6-benzhydryl-1,3-benzodioxol-5-ol.

Molecular Properties

Compound Name6-benzhydryl-1,3-benzodioxol-5-ol
PubChem CID139494942
Molecular FormulaC20H16O3
Molecular Weight304.35 g/mol
Exact Mass304.11
IUPAC Name6-benzhydryl-1,3-benzodioxol-5-ol
SMILESOc1cc2c(cc1C(c1ccccc1)c1ccccc1)OCO2
InChIInChI=1S/C20H16O3/c21-17-12-19-18(22-13-23-19)11-16(17)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,20-21H,13H2
InChIKeySMYVSHZPXDNLCE-UHFFFAOYSA-N
XLogP4.30
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-benzhydryl-1,3-benzodioxol-5-ol?
The IUPAC name of 6-benzhydryl-1,3-benzodioxol-5-ol (CID 139494942) is 6-benzhydryl-1,3-benzodioxol-5-ol.
What is the SMILES notation for 6-benzhydryl-1,3-benzodioxol-5-ol?
The canonical SMILES for 6-benzhydryl-1,3-benzodioxol-5-ol is Oc1cc2c(cc1C(c1ccccc1)c1ccccc1)OCO2.
What is the InChIKey of 6-benzhydryl-1,3-benzodioxol-5-ol?
The InChIKey is SMYVSHZPXDNLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16O3/c21-17-12-19-18(22-13-23-19)11-16(17)20(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-12,20-21H,13H2.
What are the key properties of 6-benzhydryl-1,3-benzodioxol-5-ol?
6-benzhydryl-1,3-benzodioxol-5-ol has a molecular weight of 304.35 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzhydryl-1,3-benzodioxol-5-ol is sourced from PubChem (CID 139494942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).