[(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene

C8H11ClNO2P — CID 154300726

IUPAC[(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene
SMILESC[C@@H](OP(N)(=O)Cl)c1ccccc1
InChIInChI=1S/C8H11ClNO2P/c1-7(12-13(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,10,11)/t7-,13?/m1/s1
InChIKeyJMENPBCQGQOZPB-KMPCPTCDSA-N
MW219.61 g/mol
LogP3.07
Rot. Bonds3

About [(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene

[(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene (PubChem CID 154300726) has the molecular formula C8H11ClNO2P and a molecular weight of 219.61 g/mol. Its IUPAC name is [(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene.

Molecular Properties

Compound Name[(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene
PubChem CID154300726
Molecular FormulaC8H11ClNO2P
Molecular Weight219.61 g/mol
Exact Mass219.02
IUPAC Name[(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene
SMILESC[C@@H](OP(N)(=O)Cl)c1ccccc1
InChIInChI=1S/C8H11ClNO2P/c1-7(12-13(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,10,11)/t7-,13?/m1/s1
InChIKeyJMENPBCQGQOZPB-KMPCPTCDSA-N
XLogP3.07
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.61
LogP ≤ 53.07
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

methyl(1-phenylethoxy)phosphinic acid
CID 154330211
diethyl [(1S)-1-phenylethyl] phosphate
CID 10945101
[(1R)-1-phenylethyl] 2,2-diphenylacetate
CID 11001611
1-dichlorophosphorylpropan-2-ylbenzene
CID 139980768
1-[(1R)-1-diphenylphosphoryloxyethyl]-4-methoxybenzene
CID 102079246
1-phenylethyl (2S)-2-aminopropanoate
CID 61279668
[(1R)-1-phenylethyl] formate
CID 76963066
1-(chloromethoxy)ethylbenzene
CID 13140582
1-phenylethyl nitrite
CID 18989891
1-dibenzhydryloxyphosphorylethanol
CID 13148202
3,4-bis(1-phenylethoxy)cyclobut-3-ene-1,2-dione
CID 18352407
[(1S)-1-phenylethyl] methanesulfonate
CID 59868703

Frequently Asked Questions

What is the IUPAC name of [(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene?
The IUPAC name of [(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene (CID 154300726) is [(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene.
What is the SMILES notation for [(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene?
The canonical SMILES for [(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene is C[C@@H](OP(N)(=O)Cl)c1ccccc1.
What is the InChIKey of [(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene?
The InChIKey is JMENPBCQGQOZPB-KMPCPTCDSA-N. The full InChI is InChI=1S/C8H11ClNO2P/c1-7(12-13(9,10)11)8-5-3-2-4-6-8/h2-7H,1H3,(H2,10,11)/t7-,13?/m1/s1.
What are the key properties of [(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene?
[(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene has a molecular weight of 219.61 g/mol, XLogP of 3.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R)-1-[amino(chloro)phosphoryl]oxyethyl]benzene is sourced from PubChem (CID 154300726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).