1,2,2-triphenylethenyl dihydrogen phosphate

C20H17O4P — CID 140981505

IUPAC1,2,2-triphenylethenyl dihydrogen phosphate
SMILESO=P(O)(O)OC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17O4P/c21-25(22,23)24-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H2,21,22,23)
InChIKeyZJWQKLKJVCKYIQ-UHFFFAOYSA-N
MW352.33 g/mol
LogP4.71
Rot. Bonds5

About 1,2,2-triphenylethenyl dihydrogen phosphate

1,2,2-triphenylethenyl dihydrogen phosphate (PubChem CID 140981505) has the molecular formula C20H17O4P and a molecular weight of 352.33 g/mol. Its IUPAC name is 1,2,2-triphenylethenyl dihydrogen phosphate.

Molecular Properties

Compound Name1,2,2-triphenylethenyl dihydrogen phosphate
PubChem CID140981505
Molecular FormulaC20H17O4P
Molecular Weight352.33 g/mol
Exact Mass352.09
IUPAC Name1,2,2-triphenylethenyl dihydrogen phosphate
SMILESO=P(O)(O)OC(=C(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C20H17O4P/c21-25(22,23)24-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H2,21,22,23)
InChIKeyZJWQKLKJVCKYIQ-UHFFFAOYSA-N
XLogP4.71
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 54.71
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

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azane;phosphono benzoate
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[4-[1,2-diphenyl-2-(4-phosphonooxyphenyl)ethenyl]phenyl] dihydrogen phosphate
CID 155895268
1,2-diphenylethenyl dihydrogen phosphate
CID 57178972
1,2,2-triphenylethenoxyboronic acid
CID 67742343
chlorobenzene;chloro dihydrogen phosphate
CID 67722958
phosphane;1,2,2-triphenylethenylbenzene
CID 157288563
CID 67882804
CID 67882804
1,3,5-trimethyl-2-[2-[methyl(phenyl)phosphoryl]oxy-2-phenyl-1-(2,4,6-trimethylphenyl)ethenyl]benzene
CID 10983851
dilithium;hydride;1,2,2-triphenylethenylbenzene
CID 173364079
1-dimethylphosphoryloxyethenylbenzene
CID 12869457
phenylalumane;phosphoric acid
CID 174850523

Frequently Asked Questions

What is the IUPAC name of 1,2,2-triphenylethenyl dihydrogen phosphate?
The IUPAC name of 1,2,2-triphenylethenyl dihydrogen phosphate (CID 140981505) is 1,2,2-triphenylethenyl dihydrogen phosphate.
What is the SMILES notation for 1,2,2-triphenylethenyl dihydrogen phosphate?
The canonical SMILES for 1,2,2-triphenylethenyl dihydrogen phosphate is O=P(O)(O)OC(=C(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of 1,2,2-triphenylethenyl dihydrogen phosphate?
The InChIKey is ZJWQKLKJVCKYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17O4P/c21-25(22,23)24-20(18-14-8-3-9-15-18)19(16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1-15H,(H2,21,22,23).
What are the key properties of 1,2,2-triphenylethenyl dihydrogen phosphate?
1,2,2-triphenylethenyl dihydrogen phosphate has a molecular weight of 352.33 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,2-triphenylethenyl dihydrogen phosphate is sourced from PubChem (CID 140981505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).