azane;2-phosphorosooxyethylbenzene

C8H12NO2P — CID 69238979

IUPACazane;2-phosphorosooxyethylbenzene
SMILESN.O=POCCc1ccccc1
InChIInChI=1S/C8H9O2P.H3N/c9-11-10-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;1H3
InChIKeyUOLIPMAELPFISV-UHFFFAOYSA-N
MW185.16 g/mol
LogP2.61
Rot. Bonds4

About azane;2-phosphorosooxyethylbenzene

azane;2-phosphorosooxyethylbenzene (PubChem CID 69238979) has the molecular formula C8H12NO2P and a molecular weight of 185.16 g/mol. Its IUPAC name is azane;2-phosphorosooxyethylbenzene.

Molecular Properties

Compound Nameazane;2-phosphorosooxyethylbenzene
PubChem CID69238979
Molecular FormulaC8H12NO2P
Molecular Weight185.16 g/mol
Exact Mass185.06
IUPAC Nameazane;2-phosphorosooxyethylbenzene
SMILESN.O=POCCc1ccccc1
InChIInChI=1S/C8H9O2P.H3N/c9-11-10-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;1H3
InChIKeyUOLIPMAELPFISV-UHFFFAOYSA-N
XLogP2.61
TPSA61.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.16
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phosphorosooxyethylbenzene
CID 23393054
2-phenylethylbenzene;phosphorosooxybenzene
CID 68973747
CID 58731637
CID 58731637
2-(2-phenylethoxymethoxy)ethylbenzene
CID 14767491
2-methoxyethylbenzene
CID 19089
benzene;2-phenylethylbenzene
CID 18982764
4-(2-phenylethoxymethyl)benzonitrile
CID 43128153
oxo-(2-phenylethoxy)-phenylmethoxyphosphanium
CID 70073621
azane;phosphorosomethylbenzene
CID 70284347
2-phenylethyl acetate
CID 7654
hafnium;2-phenylethylbenzene
CID 173109801
oxo-phenyl-(3-phosphorosooxypropanoyloxy)phosphanium
CID 87804658

Frequently Asked Questions

What is the IUPAC name of azane;2-phosphorosooxyethylbenzene?
The IUPAC name of azane;2-phosphorosooxyethylbenzene (CID 69238979) is azane;2-phosphorosooxyethylbenzene.
What is the SMILES notation for azane;2-phosphorosooxyethylbenzene?
The canonical SMILES for azane;2-phosphorosooxyethylbenzene is N.O=POCCc1ccccc1.
What is the InChIKey of azane;2-phosphorosooxyethylbenzene?
The InChIKey is UOLIPMAELPFISV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9O2P.H3N/c9-11-10-7-6-8-4-2-1-3-5-8;/h1-5H,6-7H2;1H3.
What are the key properties of azane;2-phosphorosooxyethylbenzene?
azane;2-phosphorosooxyethylbenzene has a molecular weight of 185.16 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2-phosphorosooxyethylbenzene is sourced from PubChem (CID 69238979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).