[(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene

C20H23O2P — CID 15697074

IUPAC[(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene
SMILESC=CCOC(CP(=O)(c1ccccc1)c1ccccc1)=C(C)C
InChIInChI=1S/C20H23O2P/c1-4-15-22-20(17(2)3)16-23(21,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h4-14H,1,15-16H2,2-3H3
InChIKeyLBPMIVXDJHNGFC-UHFFFAOYSA-N
MW326.38 g/mol
LogP4.50
Rot. Bonds7

About [(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene

[(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene (PubChem CID 15697074) has the molecular formula C20H23O2P and a molecular weight of 326.38 g/mol. Its IUPAC name is [(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene.

Molecular Properties

Compound Name[(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene
PubChem CID15697074
Molecular FormulaC20H23O2P
Molecular Weight326.38 g/mol
Exact Mass326.14
IUPAC Name[(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene
SMILESC=CCOC(CP(=O)(c1ccccc1)c1ccccc1)=C(C)C
InChIInChI=1S/C20H23O2P/c1-4-15-22-20(17(2)3)16-23(21,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h4-14H,1,15-16H2,2-3H3
InChIKeyLBPMIVXDJHNGFC-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.38
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(NZ)-N-(1-diphenylphosphorylpropan-2-ylidene)hydroxylamine
CID 102093434
prop-2-enyl 2-(triphenyl-lambda5-phosphanylidene)acetate
CID 3653816
CID 102143449
CID 102143449
(3-oxo-3-prop-2-enoxypropyl)-phenylphosphinic acid
CID 58971179
diphenylphosphorylmethylbenzene;diphenylphosphorylmethyl 2-methylprop-2-enoate;prop-1-ene
CID 161158895
(E)-2-methyl-5-phenyl-3-prop-2-enoxypent-2-enoic acid
CID 101391399
(E)-N,1-bis(diphenylphosphoryl)propan-2-imine
CID 10813717
benzene-1,2-diol;bis(prop-2-enyl) carbonate
CID 23056283
1-diphenylphosphoryl-3,3-dimethylbutan-2-one
CID 2752007
[(E)-2-prop-2-enoxyprop-1-enyl]benzene
CID 67861596
2-prop-2-enoxyprop-1-enylbenzene
CID 54107703
(2-methyl-1-phenylpropan-2-yl) prop-2-enyl carbonate
CID 102038420

Frequently Asked Questions

What is the IUPAC name of [(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene?
The IUPAC name of [(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene (CID 15697074) is [(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene.
What is the SMILES notation for [(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene?
The canonical SMILES for [(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene is C=CCOC(CP(=O)(c1ccccc1)c1ccccc1)=C(C)C.
What is the InChIKey of [(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene?
The InChIKey is LBPMIVXDJHNGFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23O2P/c1-4-15-22-20(17(2)3)16-23(21,18-11-7-5-8-12-18)19-13-9-6-10-14-19/h4-14H,1,15-16H2,2-3H3.
What are the key properties of [(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene?
[(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene has a molecular weight of 326.38 g/mol, XLogP of 4.50, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3-methyl-2-prop-2-enoxybut-2-enyl)-phenylphosphoryl]benzene is sourced from PubChem (CID 15697074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).