2-phosphorosooxyethylbenzene

C8H9O2P — CID 23393054

IUPAC2-phosphorosooxyethylbenzene
SMILESO=POCCc1ccccc1
InChIInChI=1S/C8H9O2P/c9-11-10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyCHEUEDXZKQIYSA-UHFFFAOYSA-N
MW168.13 g/mol
LogP2.45
Rot. Bonds4

About 2-phosphorosooxyethylbenzene

2-phosphorosooxyethylbenzene (PubChem CID 23393054) has the molecular formula C8H9O2P and a molecular weight of 168.13 g/mol. Its IUPAC name is 2-phosphorosooxyethylbenzene.

Molecular Properties

Compound Name2-phosphorosooxyethylbenzene
PubChem CID23393054
Molecular FormulaC8H9O2P
Molecular Weight168.13 g/mol
Exact Mass168.03
IUPAC Name2-phosphorosooxyethylbenzene
SMILESO=POCCc1ccccc1
InChIInChI=1S/C8H9O2P/c9-11-10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyCHEUEDXZKQIYSA-UHFFFAOYSA-N
XLogP2.45
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.13
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-phosphorosooxyethylbenzene with MolForge

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

Launch Full Analysis

Related Compounds

azane;2-phosphorosooxyethylbenzene
CID 69238979
2-phenylethylbenzene;phosphorosooxybenzene
CID 68973747
CID 58731637
CID 58731637
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
2-methoxyethylbenzene
CID 19089
benzene;2-phenylethylbenzene
CID 18982764
oxo-(2-phenylethoxy)-phenylmethoxyphosphanium
CID 70073621
2-phenylethyl acetate
CID 7654
hafnium;2-phenylethylbenzene
CID 173109801
oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium
CID 87804658
[4-(2-phenylethoxy)phenyl]methyl carbamate
CID 141040425
N-methyl-4-phenyl-N-(phosphorosooxymethoxy)butan-1-amine oxide
CID 118393881

Frequently Asked Questions

What is the IUPAC name of 2-phosphorosooxyethylbenzene?
The IUPAC name of 2-phosphorosooxyethylbenzene (CID 23393054) is 2-phosphorosooxyethylbenzene.
What is the SMILES notation for 2-phosphorosooxyethylbenzene?
The canonical SMILES for 2-phosphorosooxyethylbenzene is O=POCCc1ccccc1.
What is the InChIKey of 2-phosphorosooxyethylbenzene?
The InChIKey is CHEUEDXZKQIYSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2P/c9-11-10-7-6-8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 2-phosphorosooxyethylbenzene?
2-phosphorosooxyethylbenzene has a molecular weight of 168.13 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phosphorosooxyethylbenzene is sourced from PubChem (CID 23393054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).