4-phenyl-1,3-benzodioxin-4-ol

C14H12O3 — CID 45117143

IUPAC4-phenyl-1,3-benzodioxin-4-ol
SMILESOC1(c2ccccc2)OCOc2ccccc21
InChIInChI=1S/C14H12O3/c15-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16-10-17-14/h1-9,15H,10H2
InChIKeyONZKZNZGZWMMQO-UHFFFAOYSA-N
MW228.25 g/mol
LogP2.25
Rot. Bonds1

About 4-phenyl-1,3-benzodioxin-4-ol

4-phenyl-1,3-benzodioxin-4-ol (PubChem CID 45117143) has the molecular formula C14H12O3 and a molecular weight of 228.25 g/mol. Its IUPAC name is 4-phenyl-1,3-benzodioxin-4-ol.

Molecular Properties

Compound Name4-phenyl-1,3-benzodioxin-4-ol
PubChem CID45117143
Molecular FormulaC14H12O3
Molecular Weight228.25 g/mol
Exact Mass228.08
IUPAC Name4-phenyl-1,3-benzodioxin-4-ol
SMILESOC1(c2ccccc2)OCOc2ccccc21
InChIInChI=1S/C14H12O3/c15-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16-10-17-14/h1-9,15H,10H2
InChIKeyONZKZNZGZWMMQO-UHFFFAOYSA-N
XLogP2.25
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1,3-benzodioxin-4-ol?
The IUPAC name of 4-phenyl-1,3-benzodioxin-4-ol (CID 45117143) is 4-phenyl-1,3-benzodioxin-4-ol.
What is the SMILES notation for 4-phenyl-1,3-benzodioxin-4-ol?
The canonical SMILES for 4-phenyl-1,3-benzodioxin-4-ol is OC1(c2ccccc2)OCOc2ccccc21.
What is the InChIKey of 4-phenyl-1,3-benzodioxin-4-ol?
The InChIKey is ONZKZNZGZWMMQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O3/c15-14(11-6-2-1-3-7-11)12-8-4-5-9-13(12)16-10-17-14/h1-9,15H,10H2.
What are the key properties of 4-phenyl-1,3-benzodioxin-4-ol?
4-phenyl-1,3-benzodioxin-4-ol has a molecular weight of 228.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1,3-benzodioxin-4-ol is sourced from PubChem (CID 45117143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).