benzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite

C15H21N2O3P — CID 11141349

IUPACbenzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite
SMILESCCOP(OCc1ccccc1)O[C@@H](C)Cc1ncc[nH]1
InChIInChI=1S/C15H21N2O3P/c1-3-18-21(19-12-14-7-5-4-6-8-14)20-13(2)11-15-16-9-10-17-15/h4-10,13H,3,11-12H2,1-2H3,(H,16,17)/t13-,21?/m0/s1
InChIKeyGFAHBRLQRTUTIU-JRTLGTJJSA-N
MW308.32 g/mol
LogP3.84
Rot. Bonds9

About benzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite

benzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite (PubChem CID 11141349) has the molecular formula C15H21N2O3P and a molecular weight of 308.32 g/mol. Its IUPAC name is benzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite.

Molecular Properties

Compound Namebenzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite
PubChem CID11141349
Molecular FormulaC15H21N2O3P
Molecular Weight308.32 g/mol
Exact Mass308.13
IUPAC Namebenzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite
SMILESCCOP(OCc1ccccc1)O[C@@H](C)Cc1ncc[nH]1
InChIInChI=1S/C15H21N2O3P/c1-3-18-21(19-12-14-7-5-4-6-8-14)20-13(2)11-15-16-9-10-17-15/h4-10,13H,3,11-12H2,1-2H3,(H,16,17)/t13-,21?/m0/s1
InChIKeyGFAHBRLQRTUTIU-JRTLGTJJSA-N
XLogP3.84
TPSA56.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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dibenzyl 1-[di(propan-2-yl)amino]ethyl phosphite
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tribenzyl phosphite
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2-(2-methylpropyl)-1H-imidazole;dihydrochloride
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2-(2-phenylethyl)-1H-imidazole;hydrochloride
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N-ethyl-1-(1H-imidazol-2-yl)-4-methyl-3-phenylhexan-2-amine
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1-ethoxy-2-(1H-imidazol-2-yl)ethanol
CID 166788426
acetonitrile;2-benzyl-1H-imidazole
CID 23033706
2-(2-bromopropyl)-1H-imidazole
CID 61096377
benzyl N-[1-hydrazinyl-3-(1H-imidazol-2-yl)-1-oxopropan-2-yl]carbamate
CID 20850459

Frequently Asked Questions

What is the IUPAC name of benzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite?
The IUPAC name of benzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite (CID 11141349) is benzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite.
What is the SMILES notation for benzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite?
The canonical SMILES for benzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite is CCOP(OCc1ccccc1)O[C@@H](C)Cc1ncc[nH]1.
What is the InChIKey of benzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite?
The InChIKey is GFAHBRLQRTUTIU-JRTLGTJJSA-N. The full InChI is InChI=1S/C15H21N2O3P/c1-3-18-21(19-12-14-7-5-4-6-8-14)20-13(2)11-15-16-9-10-17-15/h4-10,13H,3,11-12H2,1-2H3,(H,16,17)/t13-,21?/m0/s1.
What are the key properties of benzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite?
benzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite has a molecular weight of 308.32 g/mol, XLogP of 3.84, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl ethyl [(2S)-1-(1H-imidazol-2-yl)propan-2-yl] phosphite is sourced from PubChem (CID 11141349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).