6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium

C19H16O2P+ — CID 71170000

IUPAC6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium
SMILESO[P+]1(Cc2ccccc2)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C19H16O2P/c20-22(14-15-8-2-1-3-9-15)19-13-7-5-11-17(19)16-10-4-6-12-18(16)21-22/h1-13,20H,14H2/q+1
InChIKeyFBVZSZKEWLBKOV-UHFFFAOYSA-N
MW307.31 g/mol
LogP4.41
Rot. Bonds2

About 6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium

6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium (PubChem CID 71170000) has the molecular formula C19H16O2P+ and a molecular weight of 307.31 g/mol. Its IUPAC name is 6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium.

Molecular Properties

Compound Name6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium
PubChem CID71170000
Molecular FormulaC19H16O2P+
Molecular Weight307.31 g/mol
Exact Mass307.09
IUPAC Name6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium
SMILESO[P+]1(Cc2ccccc2)Oc2ccccc2-c2ccccc21
InChIInChI=1S/C19H16O2P/c20-22(14-15-8-2-1-3-9-15)19-13-7-5-11-17(19)16-10-4-6-12-18(16)21-22/h1-13,20H,14H2/q+1
InChIKeyFBVZSZKEWLBKOV-UHFFFAOYSA-N
XLogP4.41
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium?
The IUPAC name of 6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium (CID 71170000) is 6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium.
What is the SMILES notation for 6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium?
The canonical SMILES for 6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium is O[P+]1(Cc2ccccc2)Oc2ccccc2-c2ccccc21.
What is the InChIKey of 6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium?
The InChIKey is FBVZSZKEWLBKOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16O2P/c20-22(14-15-8-2-1-3-9-15)19-13-7-5-11-17(19)16-10-4-6-12-18(16)21-22/h1-13,20H,14H2/q+1.
What are the key properties of 6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium?
6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium has a molecular weight of 307.31 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-6-hydroxybenzo[c][2,1]benzoxaphosphinin-6-ium is sourced from PubChem (CID 71170000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).