[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate

C16H17NO4 — CID 165353807

IUPAC[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate
SMILESNC(=O)OCC(O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO4/c17-16(19)21-11-14(18)10-20-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-9,14,18H,10-11H2,(H2,17,19)
InChIKeyUVNYKJKLGXUYJT-UHFFFAOYSA-N
MW287.32 g/mol
LogP2.19
Rot. Bonds6

About [2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate

[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate (PubChem CID 165353807) has the molecular formula C16H17NO4 and a molecular weight of 287.32 g/mol. Its IUPAC name is [2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate.

Molecular Properties

Compound Name[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate
PubChem CID165353807
Molecular FormulaC16H17NO4
Molecular Weight287.32 g/mol
Exact Mass287.12
IUPAC Name[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate
SMILESNC(=O)OCC(O)COc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C16H17NO4/c17-16(19)21-11-14(18)10-20-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-9,14,18H,10-11H2,(H2,17,19)
InChIKeyUVNYKJKLGXUYJT-UHFFFAOYSA-N
XLogP2.19
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-1-bromo-3-(4-phenylphenoxy)propan-2-ol
CID 101048888
[(2S)-2-hydroxy-3-(4-phenylphenoxy)propyl]-trimethylazanium
CID 51859248
(2R)-1-(4-phenylphenoxy)-3-(1,1,2,2-tetrafluoroethoxy)propan-2-ol
CID 101048885
5-hydroxy-2-methyl-6-(4-phenylphenoxy)hex-1-en-3-one
CID 139744476
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
(2-hydroxy-3-phenoxypropyl) 4-[4-(2-hydroxy-3-phenoxypropoxy)carbonylphenoxy]benzoate
CID 59866995
(2-hydroxy-3-phenoxypropyl) methylphosphanylformate
CID 59790512
[(2S)-2-hydroxy-3-(2-methylphenoxy)propyl] carbamate
CID 76969657
2-(4-phenylphenyl)propyl carbamate
CID 66715133
3-[4-(N-[4-(2,3-dihydroxypropoxy)phenyl]-4-phenylanilino)phenoxy]propane-1,2-diol
CID 58892567
3-ethoxy-3-oxo-2-[(4-phenylphenoxy)methyl]propanoic acid
CID 20773784
[(2S)-2-hydroxy-3-phenoxypropyl] butanoate
CID 102180796

Frequently Asked Questions

What is the IUPAC name of [2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate?
The IUPAC name of [2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate (CID 165353807) is [2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate.
What is the SMILES notation for [2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate?
The canonical SMILES for [2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate is NC(=O)OCC(O)COc1ccc(-c2ccccc2)cc1.
What is the InChIKey of [2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate?
The InChIKey is UVNYKJKLGXUYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO4/c17-16(19)21-11-14(18)10-20-15-8-6-13(7-9-15)12-4-2-1-3-5-12/h1-9,14,18H,10-11H2,(H2,17,19).
What are the key properties of [2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate?
[2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate has a molecular weight of 287.32 g/mol, XLogP of 2.19, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-hydroxy-3-(4-phenylphenoxy)propyl] carbamate is sourced from PubChem (CID 165353807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).