(2-methylphenyl) phenyl hydrogen phosphate

C13H13O4P — CID 21410279

IUPAC(2-methylphenyl) phenyl hydrogen phosphate
SMILESCc1ccccc1OP(=O)(O)Oc1ccccc1
InChIInChI=1S/C13H13O4P/c1-11-7-5-6-10-13(11)17-18(14,15)16-12-8-3-2-4-9-12/h2-10H,1H3,(H,14,15)
InChIKeyQHPDEJVLBMODDN-UHFFFAOYSA-N
MW264.22 g/mol
LogP3.55
Rot. Bonds4

About (2-methylphenyl) phenyl hydrogen phosphate

(2-methylphenyl) phenyl hydrogen phosphate (PubChem CID 21410279) has the molecular formula C13H13O4P and a molecular weight of 264.22 g/mol. Its IUPAC name is (2-methylphenyl) phenyl hydrogen phosphate.

Molecular Properties

Compound Name(2-methylphenyl) phenyl hydrogen phosphate
PubChem CID21410279
Molecular FormulaC13H13O4P
Molecular Weight264.22 g/mol
Exact Mass264.06
IUPAC Name(2-methylphenyl) phenyl hydrogen phosphate
SMILESCc1ccccc1OP(=O)(O)Oc1ccccc1
InChIInChI=1S/C13H13O4P/c1-11-7-5-6-10-13(11)17-18(14,15)16-12-8-3-2-4-9-12/h2-10H,1H3,(H,14,15)
InChIKeyQHPDEJVLBMODDN-UHFFFAOYSA-N
XLogP3.55
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.22
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2-methylphenyl) phenyl hydrogen phosphate 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 (2-methylphenyl) phenyl hydrogen phosphate?
The IUPAC name of (2-methylphenyl) phenyl hydrogen phosphate (CID 21410279) is (2-methylphenyl) phenyl hydrogen phosphate.
What is the SMILES notation for (2-methylphenyl) phenyl hydrogen phosphate?
The canonical SMILES for (2-methylphenyl) phenyl hydrogen phosphate is Cc1ccccc1OP(=O)(O)Oc1ccccc1.
What is the InChIKey of (2-methylphenyl) phenyl hydrogen phosphate?
The InChIKey is QHPDEJVLBMODDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13O4P/c1-11-7-5-6-10-13(11)17-18(14,15)16-12-8-3-2-4-9-12/h2-10H,1H3,(H,14,15).
What are the key properties of (2-methylphenyl) phenyl hydrogen phosphate?
(2-methylphenyl) phenyl hydrogen phosphate has a molecular weight of 264.22 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl) phenyl hydrogen phosphate is sourced from PubChem (CID 21410279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).