2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol

C19H15O4P — CID 130412052

IUPAC2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol
SMILESOc1ccccc1COp1oc2ccccc2c2ccccc2o1
InChIInChI=1S/C19H15O4P/c20-17-10-4-1-7-14(17)13-21-24-22-18-11-5-2-8-15(18)16-9-3-6-12-19(16)23-24/h1-12,20H,13H2
InChIKeyIIIGVLGFNAEIHG-UHFFFAOYSA-N
MW338.30 g/mol
LogP5.62
Rot. Bonds3

About 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol

2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol (PubChem CID 130412052) has the molecular formula C19H15O4P and a molecular weight of 338.30 g/mol. Its IUPAC name is 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol.

Molecular Properties

Compound Name2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol
PubChem CID130412052
Molecular FormulaC19H15O4P
Molecular Weight338.30 g/mol
Exact Mass338.07
IUPAC Name2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol
SMILESOc1ccccc1COp1oc2ccccc2c2ccccc2o1
InChIInChI=1S/C19H15O4P/c20-17-10-4-1-7-14(17)13-21-24-22-18-11-5-2-8-15(18)16-9-3-6-12-19(16)23-24/h1-12,20H,13H2
InChIKeyIIIGVLGFNAEIHG-UHFFFAOYSA-N
XLogP5.62
TPSA55.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.30
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol?
The IUPAC name of 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol (CID 130412052) is 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol.
What is the SMILES notation for 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol?
The canonical SMILES for 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol is Oc1ccccc1COp1oc2ccccc2c2ccccc2o1.
What is the InChIKey of 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol?
The InChIKey is IIIGVLGFNAEIHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15O4P/c20-17-10-4-1-7-14(17)13-21-24-22-18-11-5-2-8-15(18)16-9-3-6-12-19(16)23-24/h1-12,20H,13H2.
What are the key properties of 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol?
2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol has a molecular weight of 338.30 g/mol, XLogP of 5.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzo[d][1,3,2]benzodioxaphosphepin-6-yloxymethyl)phenol is sourced from PubChem (CID 130412052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).