tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate

C13H19NO3 — CID 136664415

IUPACtert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate
SMILESCc1cc(O)ccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO3/c1-9-7-11(15)6-5-10(9)8-14-12(16)17-13(2,3)4/h5-7,15H,8H2,1-4H3,(H,14,16)
InChIKeyUOKHBQSXDODJEX-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.73
Rot. Bonds2

About tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate

tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate (PubChem CID 136664415) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate
PubChem CID136664415
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate
SMILESCc1cc(O)ccc1CNC(=O)OC(C)(C)C
InChIInChI=1S/C13H19NO3/c1-9-7-11(15)6-5-10(9)8-14-12(16)17-13(2,3)4/h5-7,15H,8H2,1-4H3,(H,14,16)
InChIKeyUOKHBQSXDODJEX-UHFFFAOYSA-N
XLogP2.73
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[(4-fluoro-2-methylphenyl)methyl]carbamate
CID 59483479
tert-butyl N-[(4-ethynyl-2-methylphenyl)methyl]carbamate
CID 166459968
tert-butyl N-[2-hydroxy-2-(4-hydroxy-2-methylphenyl)ethyl]carbamate
CID 77221627
tert-butyl N-[2-[(2,4-dihydroxyphenyl)methylamino]ethyl]carbamate
CID 103740181
tert-butyl N-[[2-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methyl]carbamate
CID 123566477
tert-butyl N-[(2-fluoro-4-methylphenyl)methyl]carbamate
CID 158865202
methyl (2S)-3-(4-hydroxy-2-methylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 68762614
tert-butyl N-[(4-methyl-6-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 102545706
tert-butyl N-[2,3-dihydroxy-3-(4-hydroxy-2-methylphenyl)propyl]carbamate
CID 170831737
tert-butyl N-[(E)-4-[(4-chloro-2-methylphenyl)methylamino]but-2-enyl]carbamate
CID 107299182
tert-butyl N-[2-[(2,4-dimethylphenyl)methylamino]propyl]carbamate
CID 107248074
methyl 2-chloro-6-methyl-3-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
CID 89467468

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate?
The IUPAC name of tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate (CID 136664415) is tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate.
What is the SMILES notation for tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate?
The canonical SMILES for tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate is Cc1cc(O)ccc1CNC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate?
The InChIKey is UOKHBQSXDODJEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-7-11(15)6-5-10(9)8-14-12(16)17-13(2,3)4/h5-7,15H,8H2,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate?
tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(4-hydroxy-2-methylphenyl)methyl]carbamate is sourced from PubChem (CID 136664415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).