tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate

C12H17NO4 — CID 152536591

IUPACtert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
SMILESCOc1ccc(O)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H17NO4/c1-12(2,3)17-11(15)13-9-7-8(14)5-6-10(9)16-4/h5-7,14H,1-4H3,(H,13,15)
InChIKeyYKQYGBQOWQYNQF-UHFFFAOYSA-N
MW239.27 g/mol
LogP2.75
Rot. Bonds2

About tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate

tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate (PubChem CID 152536591) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
PubChem CID152536591
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nametert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
SMILESCOc1ccc(O)cc1NC(=O)OC(C)(C)C
InChIInChI=1S/C12H17NO4/c1-12(2,3)17-11(15)13-9-7-8(14)5-6-10(9)16-4/h5-7,14H,1-4H3,(H,13,15)
InChIKeyYKQYGBQOWQYNQF-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

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Related Compounds

tert-butyl N-[5-(hydroxymethyl)-2-methoxyphenyl]carbamate
CID 117236640
tert-butyl N-(5-bromo-2-methoxyphenyl)carbamate;propane
CID 144536105
tert-butyl N-(5-formyl-2-methoxyphenyl)carbamate;methanol
CID 144638830
2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]acetic acid
CID 117451386
tert-butyl N-[5-(2-aminoethyl)-2-methoxyphenyl]carbamate
CID 117420116
tert-butyl N-[5-(cyanomethyl)-2-methoxyphenyl]carbamate
CID 117410427
tert-butyl N-[2-methoxy-5-(3-oxopropyl)phenyl]carbamate
CID 117447984
tert-butyl N-(2-chloro-4-hydroxyphenyl)carbamate
CID 54121498
tert-butyl N-[2-(bromomethyl)-5-hydroxyphenyl]carbamate
CID 117236595
tert-butyl N-[5-[(E)-3-aminoprop-1-enyl]-2-methoxyphenyl]carbamate
CID 117446430
methyl 2-[4-methoxy-3-[(2-methylpropan-2-yl)oxycarbonylamino]anilino]propanoate
CID 103711004
tert-butyl N-[5-(3-aminopropyl)-2-methoxyphenyl]carbamate
CID 117450332

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate (CID 152536591) is tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate is COc1ccc(O)cc1NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate?
The InChIKey is YKQYGBQOWQYNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-12(2,3)17-11(15)13-9-7-8(14)5-6-10(9)16-4/h5-7,14H,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate?
tert-butyl N-(5-hydroxy-2-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-(5-hydroxy-2-methoxyphenyl)carbamate is sourced from PubChem (CID 152536591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).