tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate

C13H19NO3 — CID 14368463

IUPACtert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
SMILESCc1cccc(NC(=O)OC(C)(C)C)c1CO
InChIInChI=1S/C13H19NO3/c1-9-6-5-7-11(10(9)8-15)14-12(16)17-13(2,3)4/h5-7,15H,8H2,1-4H3,(H,14,16)
InChIKeyWBZLGXNHVPLJOF-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.83
Rot. Bonds2

About tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate

tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate (PubChem CID 14368463) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
PubChem CID14368463
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate
SMILESCc1cccc(NC(=O)OC(C)(C)C)c1CO
InChIInChI=1S/C13H19NO3/c1-9-6-5-7-11(10(9)8-15)14-12(16)17-13(2,3)4/h5-7,15H,8H2,1-4H3,(H,14,16)
InChIKeyWBZLGXNHVPLJOF-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(hydroxymethyl)-3-methylphenyl]acetamide
CID 14368464
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-[2-[2-(chloromethyl)-3-methylanilino]-2-oxoethyl]carbamate
CID 14368472
tert-butyl N-[2-[[2-fluoro-3-(hydroxymethyl)-4-methylanilino]methyl]phenyl]carbamate
CID 165145218
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328
tert-butyl N-(2-tert-butylsulfonyl-3-methylphenyl)carbamate
CID 14267498
tert-butyl N-[2-(chloromethyl)-3-fluorophenyl]carbamate
CID 117236552
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
[2-(aminomethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl] 2-methylpropanoate
CID 174448482
tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
CID 68583241
tert-butyl N-[5-(hydroxymethyl)-2,3-dimethylphenyl]carbamate
CID 117115769
tert-butyl N-[2-(2,3-dimethylanilino)-2-oxoethyl]carbamate
CID 23200830

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate (CID 14368463) is tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate is Cc1cccc(NC(=O)OC(C)(C)C)c1CO.
What is the InChIKey of tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate?
The InChIKey is WBZLGXNHVPLJOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-6-5-7-11(10(9)8-15)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-[2-(hydroxymethyl)-3-methylphenyl]carbamate?
tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate has a molecular weight of 237.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(hydroxymethyl)-3-methylphenyl]carbamate is sourced from PubChem (CID 14368463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).