(4-phosphanylphenyl)methyl formate

C8H9O2P — CID 91097019

IUPAC(4-phosphanylphenyl)methyl formate
SMILESO=COCc1ccc(P)cc1
InChIInChI=1S/C8H9O2P/c9-6-10-5-7-1-3-8(11)4-2-7/h1-4,6H,5,11H2
InChIKeyHRYZTSMTWYBHJN-UHFFFAOYSA-N
MW168.13 g/mol
LogP0.86
Rot. Bonds3

About (4-phosphanylphenyl)methyl formate

(4-phosphanylphenyl)methyl formate (PubChem CID 91097019) has the molecular formula C8H9O2P and a molecular weight of 168.13 g/mol. Its IUPAC name is (4-phosphanylphenyl)methyl formate.

Molecular Properties

Compound Name(4-phosphanylphenyl)methyl formate
PubChem CID91097019
Molecular FormulaC8H9O2P
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name(4-phosphanylphenyl)methyl formate
SMILESO=COCc1ccc(P)cc1
InChIInChI=1S/C8H9O2P/c9-6-10-5-7-1-3-8(11)4-2-7/h1-4,6H,5,11H2
InChIKeyHRYZTSMTWYBHJN-UHFFFAOYSA-N
XLogP0.86
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4-phosphanylphenyl)methyl formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-phosphanylphenyl)methyl formate?
The IUPAC name of (4-phosphanylphenyl)methyl formate (CID 91097019) is (4-phosphanylphenyl)methyl formate.
What is the SMILES notation for (4-phosphanylphenyl)methyl formate?
The canonical SMILES for (4-phosphanylphenyl)methyl formate is O=COCc1ccc(P)cc1.
What is the InChIKey of (4-phosphanylphenyl)methyl formate?
The InChIKey is HRYZTSMTWYBHJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2P/c9-6-10-5-7-1-3-8(11)4-2-7/h1-4,6H,5,11H2.
What are the key properties of (4-phosphanylphenyl)methyl formate?
(4-phosphanylphenyl)methyl formate has a molecular weight of 168.13 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phosphanylphenyl)methyl formate is sourced from PubChem (CID 91097019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).