(E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one

C15H21O4P — CID 129208127

IUPAC(E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one
SMILESCOP(=O)(CC(=O)C(C)C/C=C/c1ccccc1)OC
InChIInChI=1S/C15H21O4P/c1-13(15(16)12-20(17,18-2)19-3)8-7-11-14-9-5-4-6-10-14/h4-7,9-11,13H,8,12H2,1-3H3/b11-7+
InChIKeyZUGGDJRWPMBQGK-YRNVUSSQSA-N
MW296.30 g/mol
LogP3.78
Rot. Bonds8

About (E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one

(E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one (PubChem CID 129208127) has the molecular formula C15H21O4P and a molecular weight of 296.30 g/mol. Its IUPAC name is (E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one.

Molecular Properties

Compound Name(E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one
PubChem CID129208127
Molecular FormulaC15H21O4P
Molecular Weight296.30 g/mol
Exact Mass296.12
IUPAC Name(E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one
SMILESCOP(=O)(CC(=O)C(C)C/C=C/c1ccccc1)OC
InChIInChI=1S/C15H21O4P/c1-13(15(16)12-20(17,18-2)19-3)8-7-11-14-9-5-4-6-10-14/h4-7,9-11,13H,8,12H2,1-3H3/b11-7+
InChIKeyZUGGDJRWPMBQGK-YRNVUSSQSA-N
XLogP3.78
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.30
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1-dimethoxyphosphoryl-3-methyl-6-phenylhexan-2-one
CID 90054415
4,5-dimethylhepta-1,5-dienylbenzene
CID 123392853
(3R)-3-(dibenzylamino)-1-dimethoxyphosphoryl-4-methylpentan-2-one
CID 118184134
5-phenylpent-4-en-2-yl carbamate
CID 175428401
tert-butyl N-[(2S)-4-dimethoxyphosphoryl-3-oxo-1-phenylbutan-2-yl]carbamate
CID 7021151
(E)-5-dimethoxyphosphoryl-1-phenylpent-1-en-3-one
CID 10563799
(E,2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpent-4-enoate
CID 7009100
4-chloropent-1-enylbenzene
CID 66808272
methyl (E)-3-methyl-2-[(E)-3-phenylprop-2-enyl]hex-4-enoate
CID 102485745
dimethyl (2S)-2-hydroxy-3-(3-phenylprop-2-enyl)butanedioate
CID 57271011
(1E,7E)-5-hydroxy-1,8-diphenylocta-1,7-dien-4-one
CID 101237032
tert-butyl N-[(2S,4R)-6-dimethoxyphosphoryl-2,4-dimethyl-5-oxohexyl]-N-[(1R)-1-phenylethyl]carbamate
CID 11271009

Frequently Asked Questions

What is the IUPAC name of (E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one?
The IUPAC name of (E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one (CID 129208127) is (E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one.
What is the SMILES notation for (E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one?
The canonical SMILES for (E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one is COP(=O)(CC(=O)C(C)C/C=C/c1ccccc1)OC.
What is the InChIKey of (E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one?
The InChIKey is ZUGGDJRWPMBQGK-YRNVUSSQSA-N. The full InChI is InChI=1S/C15H21O4P/c1-13(15(16)12-20(17,18-2)19-3)8-7-11-14-9-5-4-6-10-14/h4-7,9-11,13H,8,12H2,1-3H3/b11-7+.
What are the key properties of (E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one?
(E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one has a molecular weight of 296.30 g/mol, XLogP of 3.78, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-dimethoxyphosphoryl-3-methyl-6-phenylhex-5-en-2-one is sourced from PubChem (CID 129208127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).