1-phosphoroso-4-prop-2-enylbenzene

C9H9OP — CID 174680484

IUPAC1-phosphoroso-4-prop-2-enylbenzene
SMILESC=CCc1ccc(P=O)cc1
InChIInChI=1S/C9H9OP/c1-2-3-8-4-6-9(11-10)7-5-8/h2,4-7H,1,3H2
InChIKeyQKNGDXMERNCFRL-UHFFFAOYSA-N
MW164.14 g/mol
LogP2.33
Rot. Bonds3

About 1-phosphoroso-4-prop-2-enylbenzene

1-phosphoroso-4-prop-2-enylbenzene (PubChem CID 174680484) has the molecular formula C9H9OP and a molecular weight of 164.14 g/mol. Its IUPAC name is 1-phosphoroso-4-prop-2-enylbenzene.

Molecular Properties

Compound Name1-phosphoroso-4-prop-2-enylbenzene
PubChem CID174680484
Molecular FormulaC9H9OP
Molecular Weight164.14 g/mol
Exact Mass164.04
IUPAC Name1-phosphoroso-4-prop-2-enylbenzene
SMILESC=CCc1ccc(P=O)cc1
InChIInChI=1S/C9H9OP/c1-2-3-8-4-6-9(11-10)7-5-8/h2,4-7H,1,3H2
InChIKeyQKNGDXMERNCFRL-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

bis(1-prop-2-enyl-4-(4-prop-2-enylphenyl)benzene);hydrate
CID 174815878
1-methylsulfanyl-4-prop-2-enylbenzene
CID 2760094
prop-2-enylbenzene
CID 159998516
methane;1-methyl-4-prop-2-enylbenzene
CID 165001357
sodium 4-prop-2-enylphenolate
CID 23693215
bis(4-prop-2-enylphenyl)iodanium
CID 87130865
oxozinc;1-prop-2-enyl-4-(4-prop-2-enylphenyl)peroxybenzene
CID 174931923
1,2-bis[4-(4-prop-2-enylphenyl)phenyl]ethane-1,2-dione
CID 67848404
benzene;hydroxy(oxo)phosphanium;prop-2-enylbenzene
CID 173443660
prop-2-enylbenzene;dihydrochloride
CID 174768742
phosphane;prop-2-enylbenzene
CID 87328808
CID 173215164
CID 173215164

Frequently Asked Questions

What is the IUPAC name of 1-phosphoroso-4-prop-2-enylbenzene?
The IUPAC name of 1-phosphoroso-4-prop-2-enylbenzene (CID 174680484) is 1-phosphoroso-4-prop-2-enylbenzene.
What is the SMILES notation for 1-phosphoroso-4-prop-2-enylbenzene?
The canonical SMILES for 1-phosphoroso-4-prop-2-enylbenzene is C=CCc1ccc(P=O)cc1.
What is the InChIKey of 1-phosphoroso-4-prop-2-enylbenzene?
The InChIKey is QKNGDXMERNCFRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9OP/c1-2-3-8-4-6-9(11-10)7-5-8/h2,4-7H,1,3H2.
What are the key properties of 1-phosphoroso-4-prop-2-enylbenzene?
1-phosphoroso-4-prop-2-enylbenzene has a molecular weight of 164.14 g/mol, XLogP of 2.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphoroso-4-prop-2-enylbenzene is sourced from PubChem (CID 174680484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).