1-phosphorosooxyethenylbenzene

C8H7O2P — CID 57228195

IUPAC1-phosphorosooxyethenylbenzene
SMILESC=C(OP=O)c1ccccc1
InChIInChI=1S/C8H7O2P/c1-7(10-11-9)8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyLNAJONFPJGKFAN-UHFFFAOYSA-N
MW166.12 g/mol
LogP2.88
Rot. Bonds3

About 1-phosphorosooxyethenylbenzene

1-phosphorosooxyethenylbenzene (PubChem CID 57228195) has the molecular formula C8H7O2P and a molecular weight of 166.12 g/mol. Its IUPAC name is 1-phosphorosooxyethenylbenzene.

Molecular Properties

Compound Name1-phosphorosooxyethenylbenzene
PubChem CID57228195
Molecular FormulaC8H7O2P
Molecular Weight166.12 g/mol
Exact Mass166.02
IUPAC Name1-phosphorosooxyethenylbenzene
SMILESC=C(OP=O)c1ccccc1
InChIInChI=1S/C8H7O2P/c1-7(10-11-9)8-5-3-2-4-6-8/h2-6H,1H2
InChIKeyLNAJONFPJGKFAN-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.12
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

1-dimethylphosphoryloxyethenylbenzene
CID 12869457
bis(1-phenylethenyl) (Z)-but-2-enedioate
CID 174301513
bis(1-phenylethenyl) propanedioate
CID 89421618
1-sulfanylperoxyethenylbenzene
CID 89301508
phenacyl
CID 11123355
1-phenylethenoxymethylsilane
CID 165045488
1-phenylethenyl 2-chloroacetate
CID 13032777
1-phenylethenoxymethylbenzene;tetrabromomethane
CID 174884252
(2S)-2,3-bis(1-phenylethenoxy)butanedioic acid;ethane
CID 171625530
1-but-1-en-2-yloxyethenylbenzene
CID 147866453
hydroxy-oxo-(1-phenylethenyl)phosphanium
CID 12633797
2-(1-phenylethenoxy)isoindole-1,3-dione
CID 13332656

Frequently Asked Questions

What is the IUPAC name of 1-phosphorosooxyethenylbenzene?
The IUPAC name of 1-phosphorosooxyethenylbenzene (CID 57228195) is 1-phosphorosooxyethenylbenzene.
What is the SMILES notation for 1-phosphorosooxyethenylbenzene?
The canonical SMILES for 1-phosphorosooxyethenylbenzene is C=C(OP=O)c1ccccc1.
What is the InChIKey of 1-phosphorosooxyethenylbenzene?
The InChIKey is LNAJONFPJGKFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7O2P/c1-7(10-11-9)8-5-3-2-4-6-8/h2-6H,1H2.
What are the key properties of 1-phosphorosooxyethenylbenzene?
1-phosphorosooxyethenylbenzene has a molecular weight of 166.12 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphorosooxyethenylbenzene is sourced from PubChem (CID 57228195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).