(2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran

C16H23O5P — CID 10592204

IUPAC(2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran
SMILESCCO[C@@H]1C[C@@H](c2ccccc2)C(P(=O)(OC)OC)=C(C)O1
InChIInChI=1S/C16H23O5P/c1-5-20-15-11-14(13-9-7-6-8-10-13)16(12(2)21-15)22(17,18-3)19-4/h6-10,14-15H,5,11H2,1-4H3/t14-,15-/m0/s1
InChIKeyRKPKPWJKZRVACS-GJZGRUSLSA-N
MW326.33 g/mol
LogP4.27
Rot. Bonds6

About (2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran

(2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran (PubChem CID 10592204) has the molecular formula C16H23O5P and a molecular weight of 326.33 g/mol. Its IUPAC name is (2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran.

Molecular Properties

Compound Name(2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran
PubChem CID10592204
Molecular FormulaC16H23O5P
Molecular Weight326.33 g/mol
Exact Mass326.13
IUPAC Name(2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran
SMILESCCO[C@@H]1C[C@@H](c2ccccc2)C(P(=O)(OC)OC)=C(C)O1
InChIInChI=1S/C16H23O5P/c1-5-20-15-11-14(13-9-7-6-8-10-13)16(12(2)21-15)22(17,18-3)19-4/h6-10,14-15H,5,11H2,1-4H3/t14-,15-/m0/s1
InChIKeyRKPKPWJKZRVACS-GJZGRUSLSA-N
XLogP4.27
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Butyl (1-dibutoxyphosphoryl-4-phenylbutan-2-yl) carbonate
CID 44327546
2H-Pyran, 2-butoxy-3,4-dihydro-4-phenyl-
CID 101645
(1-Diethoxyphosphoryl-3,3-diethoxypropyl)benzene
CID 134937080
(2S,4S)-5-dimethoxyphosphoryl-6-methyl-2-[(2-methylpropan-2-yl)oxy]-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran
CID 10835979
4-phenyl-2-propan-2-yloxy-3,4-dihydro-2H-pyran
CID 67832396
[(2R)-2-(2-methoxypropan-2-yloxymethyl)-3-methylpentyl]benzene
CID 10563984
(2S,4S)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran
CID 11367712
(2R,4R)-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran
CID 12483624
(2R,4R)-6-dimethoxyphosphoryl-2-ethoxy-4-phenyl-3,4-dihydro-2H-pyran
CID 101947004
lithium (Z)-2-dimethoxyphosphoryl-1-[(1S,2R)-2-(2-phenylpropan-2-yl)cyclohexyl]oxyethenolate
CID 134939204
diethyl (R)-(3-(5,5-dimethyl-1,3-dioxan-2-yl)-1-phenylpropyl)phosphonate
CID 166637254
(2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-[2-(trifluoromethyl)phenyl]-3,4-dihydro-2H-pyran
CID 10620624

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran?
The IUPAC name of (2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran (CID 10592204) is (2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran.
What is the SMILES notation for (2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran?
The canonical SMILES for (2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran is CCO[C@@H]1C[C@@H](c2ccccc2)C(P(=O)(OC)OC)=C(C)O1.
What is the InChIKey of (2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran?
The InChIKey is RKPKPWJKZRVACS-GJZGRUSLSA-N. The full InChI is InChI=1S/C16H23O5P/c1-5-20-15-11-14(13-9-7-6-8-10-13)16(12(2)21-15)22(17,18-3)19-4/h6-10,14-15H,5,11H2,1-4H3/t14-,15-/m0/s1.
What are the key properties of (2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran?
(2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran has a molecular weight of 326.33 g/mol, XLogP of 4.27, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-5-dimethoxyphosphoryl-2-ethoxy-6-methyl-4-phenyl-3,4-dihydro-2H-pyran is sourced from PubChem (CID 10592204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).