[but-3-enyl(chloro)phosphoryl]oxybenzene

C10H12ClO2P — CID 177370150

IUPAC[but-3-enyl(chloro)phosphoryl]oxybenzene
SMILESC=CCCP(=O)(Cl)Oc1ccccc1
InChIInChI=1S/C10H12ClO2P/c1-2-3-9-14(11,12)13-10-7-5-4-6-8-10/h2,4-8H,1,3,9H2
InChIKeyDZFKMPKAZSOLAB-UHFFFAOYSA-N
MW230.63 g/mol
LogP4.07
Rot. Bonds5

About [but-3-enyl(chloro)phosphoryl]oxybenzene

[but-3-enyl(chloro)phosphoryl]oxybenzene (PubChem CID 177370150) has the molecular formula C10H12ClO2P and a molecular weight of 230.63 g/mol. Its IUPAC name is [but-3-enyl(chloro)phosphoryl]oxybenzene.

Molecular Properties

Compound Name[but-3-enyl(chloro)phosphoryl]oxybenzene
PubChem CID177370150
Molecular FormulaC10H12ClO2P
Molecular Weight230.63 g/mol
Exact Mass230.03
IUPAC Name[but-3-enyl(chloro)phosphoryl]oxybenzene
SMILESC=CCCP(=O)(Cl)Oc1ccccc1
InChIInChI=1S/C10H12ClO2P/c1-2-3-9-14(11,12)13-10-7-5-4-6-8-10/h2,4-8H,1,3,9H2
InChIKeyDZFKMPKAZSOLAB-UHFFFAOYSA-N
XLogP4.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.63
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

argon;[chloro(phenoxy)phosphoryl]oxybenzene
CID 159408422
[2-diphenoxyphosphorylethyl(phenoxy)phosphoryl]oxybenzene
CID 14550387
[methoxy(prop-2-enyl)phosphoryl]oxybenzene
CID 54095203
chloro(phenoxy)phosphinate
CID 71354399
bis(ethenyl) phenyl phosphate
CID 22119346
[chloromethyl(methyl)phosphoryl]oxybenzene
CID 71410923
[methoxy(methyl)phosphoryl]oxybenzene
CID 564592
phosphoric acid;prop-2-enoxybenzene
CID 66665136
phenyl phosphono prop-2-enyl phosphate
CID 88721079
diphenoxyphosphorylsilane;phosphane
CID 174958468
phenyl dihydrogen phosphate;2-phosphonoethylphosphonic acid
CID 158952926
phenoxy-(4-prop-2-enylphenyl)phosphinic acid
CID 141245969

Frequently Asked Questions

What is the IUPAC name of [but-3-enyl(chloro)phosphoryl]oxybenzene?
The IUPAC name of [but-3-enyl(chloro)phosphoryl]oxybenzene (CID 177370150) is [but-3-enyl(chloro)phosphoryl]oxybenzene.
What is the SMILES notation for [but-3-enyl(chloro)phosphoryl]oxybenzene?
The canonical SMILES for [but-3-enyl(chloro)phosphoryl]oxybenzene is C=CCCP(=O)(Cl)Oc1ccccc1.
What is the InChIKey of [but-3-enyl(chloro)phosphoryl]oxybenzene?
The InChIKey is DZFKMPKAZSOLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClO2P/c1-2-3-9-14(11,12)13-10-7-5-4-6-8-10/h2,4-8H,1,3,9H2.
What are the key properties of [but-3-enyl(chloro)phosphoryl]oxybenzene?
[but-3-enyl(chloro)phosphoryl]oxybenzene has a molecular weight of 230.63 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [but-3-enyl(chloro)phosphoryl]oxybenzene is sourced from PubChem (CID 177370150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).