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

C13H19NO3 — CID 68583241

IUPACtert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
SMILESCc1ccc(NC(=O)OC(C)(C)C)c(CO)c1
InChIInChI=1S/C13H19NO3/c1-9-5-6-11(10(7-9)8-15)14-12(16)17-13(2,3)4/h5-7,15H,8H2,1-4H3,(H,14,16)
InChIKeyDCSJBHMSTFQOOT-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.83
Rot. Bonds2

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

tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate (PubChem CID 68583241) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
PubChem CID68583241
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nametert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate
SMILESCc1ccc(NC(=O)OC(C)(C)C)c(CO)c1
InChIInChI=1S/C13H19NO3/c1-9-5-6-11(10(7-9)8-15)14-12(16)17-13(2,3)4/h5-7,15H,8H2,1-4H3,(H,14,16)
InChIKeyDCSJBHMSTFQOOT-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

tert-butyl N-(2,5-dimethylphenyl)carbamate
CID 4935481
tert-butyl N-(2-acetyl-4-methylphenyl)carbamate
CID 143444258
tert-butyl N-(2-ethoxy-4-methylphenyl)carbamate
CID 65142813
tert-butyl N-[5-chloro-2-(hydroxymethyl)phenyl]carbamate
CID 117236586
tert-butyl N-(2-formyl-4-methylphenyl)carbamate
CID 84797412
tert-butyl N-(2-ethyl-4-hydroxyphenyl)carbamate
CID 143575571
4-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]benzenesulfonic acid
CID 118978078
tert-butyl N-[6-chloro-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 131744150
tert-butyl N-[6-bromo-4-(hydroxymethyl)-3-pyridinyl]carbamate
CID 133056033
tert-butyl N-(2-iodo-5-methylphenyl)carbamate
CID 121003345
tert-butyl N-[3-(hydroxymethyl)-4-methylphenyl]carbamate
CID 58614987
tert-butyl N-[4-chloro-2-(chloromethyl)phenyl]carbamate
CID 117236568

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate?
The IUPAC name of tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate (CID 68583241) is tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate is Cc1ccc(NC(=O)OC(C)(C)C)c(CO)c1.
What is the InChIKey of tert-butyl N-[2-(hydroxymethyl)-4-methylphenyl]carbamate?
The InChIKey is DCSJBHMSTFQOOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-9-5-6-11(10(7-9)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)-4-methylphenyl]carbamate?
tert-butyl N-[2-(hydroxymethyl)-4-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)-4-methylphenyl]carbamate is sourced from PubChem (CID 68583241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).