phosphorosomethylbenzene

C7H7OP — CID 21189101

IUPACphosphorosomethylbenzene
SMILESO=PCc1ccccc1
InChIInChI=1S/C7H7OP/c8-9-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyYSUVXWLFCHRCMI-UHFFFAOYSA-N
MW138.11 g/mol
LogP2.48
Rot. Bonds2

About phosphorosomethylbenzene

phosphorosomethylbenzene (PubChem CID 21189101) has the molecular formula C7H7OP and a molecular weight of 138.11 g/mol. Its IUPAC name is phosphorosomethylbenzene.

Molecular Properties

Compound Namephosphorosomethylbenzene
PubChem CID21189101
Molecular FormulaC7H7OP
Molecular Weight138.11 g/mol
Exact Mass138.02
IUPAC Namephosphorosomethylbenzene
SMILESO=PCc1ccccc1
InChIInChI=1S/C7H7OP/c8-9-6-7-4-2-1-3-5-7/h1-5H,6H2
InChIKeyYSUVXWLFCHRCMI-UHFFFAOYSA-N
XLogP2.48
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.11
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;phosphorosomethylbenzene
CID 70284347
benzene;2-phenylethylbenzene
CID 18982764
phenyl(113C)methylbenzene
CID 11194569
tribenzylgallane
CID 15820404
1,3-diphenylpropan-2-yl-hydroxy-oxophosphanium
CID 151391700
2-phosphorosooxyethylbenzene
CID 23393054
2-phenylethylbenzene;phosphorosooxybenzene
CID 68973747
azane;2-phosphorosooxyethylbenzene
CID 69238979
CID 66734377
CID 66734377
hafnium;2-phenylethylbenzene
CID 173109801
2-oxo-2-phenylmethoxyethaneperoxoic acid
CID 88728266
3-phosphorosobutylbenzene
CID 165430186

Frequently Asked Questions

What is the IUPAC name of phosphorosomethylbenzene?
The IUPAC name of phosphorosomethylbenzene (CID 21189101) is phosphorosomethylbenzene.
What is the SMILES notation for phosphorosomethylbenzene?
The canonical SMILES for phosphorosomethylbenzene is O=PCc1ccccc1.
What is the InChIKey of phosphorosomethylbenzene?
The InChIKey is YSUVXWLFCHRCMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7OP/c8-9-6-7-4-2-1-3-5-7/h1-5H,6H2.
What are the key properties of phosphorosomethylbenzene?
phosphorosomethylbenzene has a molecular weight of 138.11 g/mol, XLogP of 2.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for phosphorosomethylbenzene is sourced from PubChem (CID 21189101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).