tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate

C12H16FNO4 — CID 133080787

IUPACtert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OC(C)(C)C)c(F)cc1O
InChIInChI=1S/C12H16FNO4/c1-12(2,3)18-11(16)14-8-6-10(17-4)9(15)5-7(8)13/h5-6,15H,1-4H3,(H,14,16)
InChIKeyAKMSDLKRFVWHCW-UHFFFAOYSA-N
MW257.26 g/mol
LogP2.89
Rot. Bonds2

About tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate

tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate (PubChem CID 133080787) has the molecular formula C12H16FNO4 and a molecular weight of 257.26 g/mol. Its IUPAC name is tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate
PubChem CID133080787
Molecular FormulaC12H16FNO4
Molecular Weight257.26 g/mol
Exact Mass257.11
IUPAC Nametert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate
SMILESCOc1cc(NC(=O)OC(C)(C)C)c(F)cc1O
InChIInChI=1S/C12H16FNO4/c1-12(2,3)18-11(16)14-8-6-10(17-4)9(15)5-7(8)13/h5-6,15H,1-4H3,(H,14,16)
InChIKeyAKMSDLKRFVWHCW-UHFFFAOYSA-N
XLogP2.89
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-(5-chloro-2,4-difluorophenyl)carbamate
CID 131118705
tert-butyl N-(2,5-difluoro-4-formylphenyl)carbamate
CID 84805525
2,5-difluoro-4-[(2-methylpropan-2-yl)oxycarbonylamino]benzoic acid
CID 122204937
tert-butyl N-(5-hydroxy-2-methoxyphenyl)carbamate
CID 152536591
tert-butyl N-[4-(difluoromethoxy)-2,5-difluorophenyl]carbamate
CID 177334338
tert-butyl N-(2,5-difluorophenyl)carbamate
CID 14690685
tert-butyl N-(2,3-difluoro-5-methoxyphenyl)carbamate
CID 67813213
tert-butyl N-(3-fluoro-4-methoxyphenyl)carbamate
CID 65143046
methyl 3-(2-fluoro-4-hydroxy-5-methoxyphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 167089524
tert-butyl N-(4-bromo-5-fluoro-2-methoxyphenyl)carbamate;carbamic acid
CID 160872477
tert-butyl N-(4-bromo-2-fluorophenyl)carbamate
CID 22736228
tert-butyl N-(2-hydroxy-3-methoxyphenyl)carbamate
CID 10955644

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate?
The IUPAC name of tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate (CID 133080787) is tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate?
The canonical SMILES for tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate is COc1cc(NC(=O)OC(C)(C)C)c(F)cc1O.
What is the InChIKey of tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate?
The InChIKey is AKMSDLKRFVWHCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4/c1-12(2,3)18-11(16)14-8-6-10(17-4)9(15)5-7(8)13/h5-6,15H,1-4H3,(H,14,16).
What are the key properties of tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate?
tert-butyl N-(2-fluoro-4-hydroxy-5-methoxyphenyl)carbamate has a molecular weight of 257.26 g/mol, XLogP of 2.89, 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-fluoro-4-hydroxy-5-methoxyphenyl)carbamate is sourced from PubChem (CID 133080787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).