tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate

C12H17NO4 — CID 10955644

IUPACtert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate
SMILESCOc1cccc(NC(=O)OC(C)(C)C)c1O
InChIInChI=1S/C12H17NO4/c1-12(2,3)17-11(15)13-8-6-5-7-9(16-4)10(8)14/h5-7,14H,1-4H3,(H,13,15)
InChIKeyKENBGUJPCAIZIE-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.75
Rot. Bonds2

About tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate

tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate (PubChem CID 10955644) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate
PubChem CID10955644
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nametert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate
SMILESCOc1cccc(NC(=O)OC(C)(C)C)c1O
InChIInChI=1S/C12H17NO4/c1-12(2,3)17-11(15)13-8-6-5-7-9(16-4)10(8)14/h5-7,14H,1-4H3,(H,13,15)
InChIKeyKENBGUJPCAIZIE-UHFFFAOYSA-N
XLogP2.75
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(2-iodo-3-methoxyphenyl)carbamate
CID 10760197
tert-butyl N-(2-fluoro-3-methoxyphenyl)carbamate;molecular hydrogen
CID 158506120
tert-butyl N-(2-hydroxyphenyl)carbamate
CID 4935485
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
tert-butyl N-(3-fluoro-2-methoxyphenyl)carbamate
CID 121232357
tert-butyl N-[3-[(dimethylamino)methyl]-2-hydroxyphenyl]carbamate
CID 24763845
tert-butyl N-(6-methoxynaphthalen-1-yl)carbamate
CID 12843045
tert-butyl N-[2-methoxy-6-(2-oxopropyl)phenyl]carbamate
CID 175297517
tert-butyl N-[2-(2-methylphenyl)phenyl]carbamate
CID 22288328
tert-butyl N-(2-amino-3-methylphenyl)carbamate
CID 76849218
tert-butyl N-[4-[2-(2-methoxyanilino)-2-oxoethyl]phenyl]carbamate
CID 46556125
tert-butyl N-[2-(3,4,5-trimethoxybenzoyl)phenyl]carbamate
CID 19876877

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate (CID 10955644) is tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate is COc1cccc(NC(=O)OC(C)(C)C)c1O.
What is the InChIKey of tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate?
The InChIKey is KENBGUJPCAIZIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(2,3)17-11(15)13-8-6-5-7-9(16-4)10(8)14/h5-7,14H,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate?
tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate has a molecular weight of 239.27 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate is sourced from PubChem (CID 10955644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).