diphenyl hydrogen phosphate;hept-2-ene

C19H25O4P — CID 160671397

IUPACdiphenyl hydrogen phosphate;hept-2-ene
SMILESCC=CCCCC.O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.C7H14/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-3-5-7-6-4-2/h1-10H,(H,13,14);3,5H,4,6-7H2,1-2H3
InChIKeyRMYXPLJNUPJPFZ-UHFFFAOYSA-N
MW348.38 g/mol
LogP6.00
Rot. Bonds7

About diphenyl hydrogen phosphate;hept-2-ene

diphenyl hydrogen phosphate;hept-2-ene (PubChem CID 160671397) has the molecular formula C19H25O4P and a molecular weight of 348.38 g/mol. Its IUPAC name is diphenyl hydrogen phosphate;hept-2-ene.

Molecular Properties

Compound Namediphenyl hydrogen phosphate;hept-2-ene
PubChem CID160671397
Molecular FormulaC19H25O4P
Molecular Weight348.38 g/mol
Exact Mass348.15
IUPAC Namediphenyl hydrogen phosphate;hept-2-ene
SMILESCC=CCCCC.O=P(O)(Oc1ccccc1)Oc1ccccc1
InChIInChI=1S/C12H11O4P.C7H14/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-3-5-7-6-4-2/h1-10H,(H,13,14);3,5H,4,6-7H2,1-2H3
InChIKeyRMYXPLJNUPJPFZ-UHFFFAOYSA-N
XLogP6.00
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.38
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diphenyl hydrogen phosphate;hept-2-ene?
The IUPAC name of diphenyl hydrogen phosphate;hept-2-ene (CID 160671397) is diphenyl hydrogen phosphate;hept-2-ene.
What is the SMILES notation for diphenyl hydrogen phosphate;hept-2-ene?
The canonical SMILES for diphenyl hydrogen phosphate;hept-2-ene is CC=CCCCC.O=P(O)(Oc1ccccc1)Oc1ccccc1.
What is the InChIKey of diphenyl hydrogen phosphate;hept-2-ene?
The InChIKey is RMYXPLJNUPJPFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11O4P.C7H14/c13-17(14,15-11-7-3-1-4-8-11)16-12-9-5-2-6-10-12;1-3-5-7-6-4-2/h1-10H,(H,13,14);3,5H,4,6-7H2,1-2H3.
What are the key properties of diphenyl hydrogen phosphate;hept-2-ene?
diphenyl hydrogen phosphate;hept-2-ene has a molecular weight of 348.38 g/mol, XLogP of 6.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diphenyl hydrogen phosphate;hept-2-ene is sourced from PubChem (CID 160671397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).