1-ethenyl-4-(phosphorosomethyl)benzene

C9H9OP — CID 175486425

IUPAC1-ethenyl-4-(phosphorosomethyl)benzene
SMILESC=Cc1ccc(CP=O)cc1
InChIInChI=1S/C9H9OP/c1-2-8-3-5-9(6-4-8)7-11-10/h2-6H,1,7H2
InChIKeyOUQXOPVKJSHKJB-UHFFFAOYSA-N
MW164.14 g/mol
LogP3.12
Rot. Bonds3

About 1-ethenyl-4-(phosphorosomethyl)benzene

1-ethenyl-4-(phosphorosomethyl)benzene (PubChem CID 175486425) has the molecular formula C9H9OP and a molecular weight of 164.14 g/mol. Its IUPAC name is 1-ethenyl-4-(phosphorosomethyl)benzene.

Molecular Properties

Compound Name1-ethenyl-4-(phosphorosomethyl)benzene
PubChem CID175486425
Molecular FormulaC9H9OP
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name1-ethenyl-4-(phosphorosomethyl)benzene
SMILESC=Cc1ccc(CP=O)cc1
InChIInChI=1S/C9H9OP/c1-2-8-3-5-9(6-4-8)7-11-10/h2-6H,1,7H2
InChIKeyOUQXOPVKJSHKJB-UHFFFAOYSA-N
XLogP3.12
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.14
LogP ≤ 53.12
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

1,4-bis[(4-ethenylphenyl)methyl]benzene
CID 20738932
1-ethenyl-4-[[4-[[4-[(4-ethenylphenyl)methyl]phenyl]methyl]phenyl]methyl]benzene
CID 163649628
(4-ethenylphenyl)methylazanium
CID 86307073
1-(chloromethyl)-4-ethenylbenzene;phosphane
CID 87786462
1-ethenyl-4-[2-[2-[2-[2-[(4-ethenylphenyl)methoxy]ethoxy]ethoxy]ethoxy]ethoxymethyl]benzene
CID 10550369
(4-ethenylphenyl)methanesulfinate
CID 174404889
bis(1-ethenyl-4-(methanidyloxymethyl)benzene);rutherfordium
CID 162713080
(4-ethenylphenyl)methoxymethylsilane
CID 159198884
1-(4-ethenylphenyl)propan-2-one
CID 70398942
1-ethenyl-4-(ethylsulfonylmethyl)benzene
CID 18998004
2-(4-ethenylphenyl)ethane-1,1-diol
CID 166912920
1-ethenyl-4-[4-(methoxymethyl)phenyl]benzene
CID 22186395

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-(phosphorosomethyl)benzene?
The IUPAC name of 1-ethenyl-4-(phosphorosomethyl)benzene (CID 175486425) is 1-ethenyl-4-(phosphorosomethyl)benzene.
What is the SMILES notation for 1-ethenyl-4-(phosphorosomethyl)benzene?
The canonical SMILES for 1-ethenyl-4-(phosphorosomethyl)benzene is C=Cc1ccc(CP=O)cc1.
What is the InChIKey of 1-ethenyl-4-(phosphorosomethyl)benzene?
The InChIKey is OUQXOPVKJSHKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9OP/c1-2-8-3-5-9(6-4-8)7-11-10/h2-6H,1,7H2.
What are the key properties of 1-ethenyl-4-(phosphorosomethyl)benzene?
1-ethenyl-4-(phosphorosomethyl)benzene has a molecular weight of 164.14 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-4-(phosphorosomethyl)benzene is sourced from PubChem (CID 175486425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).