benzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate

C23H24NO6P — CID 155539004

IUPACbenzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate
SMILESCOP(=O)(Oc1ccccc1)C(Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C23H24NO6P/c1-28-31(27,30-21-10-6-3-7-11-21)22(16-18-12-14-20(25)15-13-18)24-23(26)29-17-19-8-4-2-5-9-19/h2-15,22,25H,16-17H2,1H3,(H,24,26)
InChIKeyBWBJKZUTTXGODZ-UHFFFAOYSA-N
MW441.42 g/mol
LogP5.11
Rot. Bonds9

About benzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate

benzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate (PubChem CID 155539004) has the molecular formula C23H24NO6P and a molecular weight of 441.42 g/mol. Its IUPAC name is benzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate
PubChem CID155539004
Molecular FormulaC23H24NO6P
Molecular Weight441.42 g/mol
Exact Mass441.13
IUPAC Namebenzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate
SMILESCOP(=O)(Oc1ccccc1)C(Cc1ccc(O)cc1)NC(=O)OCc1ccccc1
InChIInChI=1S/C23H24NO6P/c1-28-31(27,30-21-10-6-3-7-11-21)22(16-18-12-14-20(25)15-13-18)24-23(26)29-17-19-8-4-2-5-9-19/h2-15,22,25H,16-17H2,1H3,(H,24,26)
InChIKeyBWBJKZUTTXGODZ-UHFFFAOYSA-N
XLogP5.11
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.42
LogP ≤ 55.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[1-diphenoxyphosphoryl-2-(4-fluorophenyl)ethyl]carbamate
CID 155541554
benzyl N-[2-[4-(diaminomethylideneamino)phenyl]-1-diphenoxyphosphorylethyl]carbamate
CID 16718808
benzyl N-[(1S)-1-diphenoxyphosphorylbutyl]carbamate
CID 26477193
benzyl N-[(1S)-1-dimethoxyphosphorylpropyl]carbamate
CID 101044856
methyl 2-dimethoxyphosphoryl-2-(phenylmethoxycarbonylamino)acetate
CID 2734718
benzyl N-[1-bis(4-acetamidophenoxy)phosphoryl-2-[4-(diaminomethylideneamino)phenyl]ethyl]carbamate;hydrochloride
CID 165437259
(2,3,4,5,6-pentafluorophenyl)methyl N-[2-[4-(diaminomethylideneamino)phenyl]-1-diphenoxyphosphorylethyl]carbamate
CID 155537767
benzyl 3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoate
CID 13169996
benzyl N-(1-dimethoxyphosphoryl-2-oxo-2-phenylethyl)carbamate
CID 102190004
benzyl N-[1-bis(4-methylsulfanylphenoxy)phosphorylpropyl]carbamate
CID 53320000
methyl (2S)-2-[[(2R)-3-(4-hydroxyphenyl)-2-(phenylmethoxycarbonylamino)propanoyl]amino]-3-phenylpropanoate
CID 92643296
methoxy-[(1R)-1-(phenylmethoxycarbonylamino)ethyl]phosphinic acid
CID 12074004

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate?
The IUPAC name of benzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate (CID 155539004) is benzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate is COP(=O)(Oc1ccccc1)C(Cc1ccc(O)cc1)NC(=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate?
The InChIKey is BWBJKZUTTXGODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24NO6P/c1-28-31(27,30-21-10-6-3-7-11-21)22(16-18-12-14-20(25)15-13-18)24-23(26)29-17-19-8-4-2-5-9-19/h2-15,22,25H,16-17H2,1H3,(H,24,26).
What are the key properties of benzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate?
benzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate has a molecular weight of 441.42 g/mol, XLogP of 5.11, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(4-hydroxyphenyl)-1-[methoxy(phenoxy)phosphoryl]ethyl]carbamate is sourced from PubChem (CID 155539004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).