(E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol

C17H19O2P — CID 13196807

IUPAC(E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol
SMILESCP(C)(=O)C(O)(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O2P/c1-20(2,19)17(18,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14,18H,1-2H3/b14-13+
InChIKeyCLQBXWNVQQVORJ-BUHFOSPRSA-N
MW286.31 g/mol
LogP4.17
Rot. Bonds4

About (E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol

(E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol (PubChem CID 13196807) has the molecular formula C17H19O2P and a molecular weight of 286.31 g/mol. Its IUPAC name is (E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol.

Molecular Properties

Compound Name(E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol
PubChem CID13196807
Molecular FormulaC17H19O2P
Molecular Weight286.31 g/mol
Exact Mass286.11
IUPAC Name(E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol
SMILESCP(C)(=O)C(O)(/C=C/c1ccccc1)c1ccccc1
InChIInChI=1S/C17H19O2P/c1-20(2,19)17(18,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14,18H,1-2H3/b14-13+
InChIKeyCLQBXWNVQQVORJ-BUHFOSPRSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.31
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1,1,3-triphenylprop-2-en-1-ol
CID 92856099
2-methyl-2,4-diphenylbut-3-enal
CID 154114517
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
(E)-2-ethenyl-2-methyl-4-phenylbut-3-enoic acid
CID 13110783
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
2-phenylethenyl(propan-2-yl)phosphinic acid
CID 67362871
[(3R,4R,5E)-4-hydroxy-4-methyl-6-phenylhexa-1,5-dien-3-yl] acetate
CID 101235920
(E)-3-hydroxy-3,5-diphenyl-1-(2,4,6-trimethylphenyl)pent-4-en-1-one
CID 13425598
(E)-5-bromo-1-phenylhex-1-ene-3,3-diol
CID 170561254
acetaldehyde;buta-1,3-dienylbenzene
CID 173416032
(E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol
CID 89384206
acetic acid;stilbene
CID 172803728

Frequently Asked Questions

What is the IUPAC name of (E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol?
The IUPAC name of (E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol (CID 13196807) is (E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol.
What is the SMILES notation for (E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol?
The canonical SMILES for (E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol is CP(C)(=O)C(O)(/C=C/c1ccccc1)c1ccccc1.
What is the InChIKey of (E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol?
The InChIKey is CLQBXWNVQQVORJ-BUHFOSPRSA-N. The full InChI is InChI=1S/C17H19O2P/c1-20(2,19)17(18,16-11-7-4-8-12-16)14-13-15-9-5-3-6-10-15/h3-14,18H,1-2H3/b14-13+.
What are the key properties of (E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol?
(E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol has a molecular weight of 286.31 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-dimethylphosphoryl-1,3-diphenylprop-2-en-1-ol is sourced from PubChem (CID 13196807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).