4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine

C20H26NO3P — CID 156844262

IUPAC4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine
SMILESCCOP(C)(=O)C[C@H](c1ccnc(OCc2ccccc2)c1)C1CC1
InChIInChI=1S/C20H26NO3P/c1-3-24-25(2,22)15-19(17-9-10-17)18-11-12-21-20(13-18)23-14-16-7-5-4-6-8-16/h4-8,11-13,17,19H,3,9-10,14-15H2,1-2H3/t19-,25?/m0/s1
InChIKeyVTVQLMSNCIJBJY-UBDBMELISA-N
MW359.41 g/mol
LogP5.10
Rot. Bonds9

About 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine

4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine (PubChem CID 156844262) has the molecular formula C20H26NO3P and a molecular weight of 359.41 g/mol. Its IUPAC name is 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine.

Molecular Properties

Compound Name4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine
PubChem CID156844262
Molecular FormulaC20H26NO3P
Molecular Weight359.41 g/mol
Exact Mass359.17
IUPAC Name4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine
SMILESCCOP(C)(=O)C[C@H](c1ccnc(OCc2ccccc2)c1)C1CC1
InChIInChI=1S/C20H26NO3P/c1-3-24-25(2,22)15-19(17-9-10-17)18-11-12-21-20(13-18)23-14-16-7-5-4-6-8-16/h4-8,11-13,17,19H,3,9-10,14-15H2,1-2H3/t19-,25?/m0/s1
InChIKeyVTVQLMSNCIJBJY-UBDBMELISA-N
XLogP5.10
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.41
LogP ≤ 55.10
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

(2S)-2-(2-butoxy-4-pyridinyl)-2-cyclopropylethanol
CID 165156054
1-(1-cyclopropylethyl)-1-methyl-3-[(2-phenylmethoxy-4-pyridinyl)methyl]urea
CID 87004224
methyl 2-[hydroxy-(2-phenylmethoxy-4-pyridinyl)methyl]oxolane-2-carboxylate
CID 59712337
[2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethyl] methanesulfonate
CID 155342114
(1S)-1-cyclopropyl-1-(3-phenylmethoxyphenyl)pentan-3-one
CID 147124935
N-ethyl-2-phenylmethoxypyridine-4-carboxamide
CID 47366269
N-methoxy-2-phenylmethoxypyridine-4-carboxamide
CID 47366546
4-[(2-phenylmethoxypyridine-4-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 120524557
ethyl 1-(2-phenylmethoxypyridine-4-carbonyl)piperidine-4-carboxylate
CID 47069831
3-cyclopropyl-3-(3-methyl-4-phenylmethoxyphenyl)propanoic acid
CID 117495361
(2S)-2-cyclopropyl-2-(3-phenylmethoxyphenyl)ethanol
CID 156844165
1-(1-cyclohexylpropyl)-4-[ethoxy(methyl)phosphoryl]benzene
CID 123426552

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine?
The IUPAC name of 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine (CID 156844262) is 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine.
What is the SMILES notation for 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine?
The canonical SMILES for 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine is CCOP(C)(=O)C[C@H](c1ccnc(OCc2ccccc2)c1)C1CC1.
What is the InChIKey of 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine?
The InChIKey is VTVQLMSNCIJBJY-UBDBMELISA-N. The full InChI is InChI=1S/C20H26NO3P/c1-3-24-25(2,22)15-19(17-9-10-17)18-11-12-21-20(13-18)23-14-16-7-5-4-6-8-16/h4-8,11-13,17,19H,3,9-10,14-15H2,1-2H3/t19-,25?/m0/s1.
What are the key properties of 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine?
4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine has a molecular weight of 359.41 g/mol, XLogP of 5.10, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-cyclopropyl-2-[ethoxy(methyl)phosphoryl]ethyl]-2-phenylmethoxypyridine is sourced from PubChem (CID 156844262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).