1,2-diphenylethenyl dihydrogen phosphate

C14H13O4P — CID 57178972

IUPAC1,2-diphenylethenyl dihydrogen phosphate
SMILESO=P(O)(O)OC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13O4P/c15-19(16,17)18-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H2,15,16,17)
InChIKeyWHPUADSBWDSJEZ-UHFFFAOYSA-N
MW276.23 g/mol
LogP3.29
Rot. Bonds4

About 1,2-diphenylethenyl dihydrogen phosphate

1,2-diphenylethenyl dihydrogen phosphate (PubChem CID 57178972) has the molecular formula C14H13O4P and a molecular weight of 276.23 g/mol. Its IUPAC name is 1,2-diphenylethenyl dihydrogen phosphate.

Molecular Properties

Compound Name1,2-diphenylethenyl dihydrogen phosphate
PubChem CID57178972
Molecular FormulaC14H13O4P
Molecular Weight276.23 g/mol
Exact Mass276.06
IUPAC Name1,2-diphenylethenyl dihydrogen phosphate
SMILESO=P(O)(O)OC(=Cc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13O4P/c15-19(16,17)18-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H2,15,16,17)
InChIKeyWHPUADSBWDSJEZ-UHFFFAOYSA-N
XLogP3.29
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.23
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[(Z)-2-[(E)-2-diphenylphosphoryl-1-phenylethenoxy]-2-phenylethenyl]benzene
CID 134935737
1,2-diphenylethenyl hydrogen sulfite
CID 57013364
O-phosphono benzenecarbothioate
CID 175179280
azane;phosphono benzoate
CID 174881549
[(Z)-1-ethoxy-2-phenylethenyl]benzene
CID 12610888
tribromo-[(Z)-1,2-diphenylethenoxy]germane
CID 132573464
1,2,2-triphenylethenyl dihydrogen phosphate
CID 140981505
(Z)-3-phenyl-2-phosphonoprop-2-enoic acid
CID 67323019
4-(1,2-diphenylethenoxy)butan-1-amine
CID 57175242
1,2-diphenylethenyl 3-phenylprop-2-enoate
CID 90922275
1,2-diphenylethenylbenzene;phenol;phosphoric acid
CID 174310786
[(Z)-1,2-diphenylethenoxy]methylbenzene
CID 134952285

Frequently Asked Questions

What is the IUPAC name of 1,2-diphenylethenyl dihydrogen phosphate?
The IUPAC name of 1,2-diphenylethenyl dihydrogen phosphate (CID 57178972) is 1,2-diphenylethenyl dihydrogen phosphate.
What is the SMILES notation for 1,2-diphenylethenyl dihydrogen phosphate?
The canonical SMILES for 1,2-diphenylethenyl dihydrogen phosphate is O=P(O)(O)OC(=Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1,2-diphenylethenyl dihydrogen phosphate?
The InChIKey is WHPUADSBWDSJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13O4P/c15-19(16,17)18-14(13-9-5-2-6-10-13)11-12-7-3-1-4-8-12/h1-11H,(H2,15,16,17).
What are the key properties of 1,2-diphenylethenyl dihydrogen phosphate?
1,2-diphenylethenyl dihydrogen phosphate has a molecular weight of 276.23 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenylethenyl dihydrogen phosphate is sourced from PubChem (CID 57178972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).