tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate

C12H17NO3 — CID 22033548

IUPACtert-butyl N-(3-hydroxy-5-methylphenyl)carbamate
SMILESCc1cc(O)cc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C12H17NO3/c1-8-5-9(7-10(14)6-8)13-11(15)16-12(2,3)4/h5-7,14H,1-4H3,(H,13,15)
InChIKeyURNOARJOTIWYAO-UHFFFAOYSA-N
MW223.27 g/mol
LogP3.05
Rot. Bonds1

About tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate

tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate (PubChem CID 22033548) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxy-5-methylphenyl)carbamate
PubChem CID22033548
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Nametert-butyl N-(3-hydroxy-5-methylphenyl)carbamate
SMILESCc1cc(O)cc(NC(=O)OC(C)(C)C)c1
InChIInChI=1S/C12H17NO3/c1-8-5-9(7-10(14)6-8)13-11(15)16-12(2,3)4/h5-7,14H,1-4H3,(H,13,15)
InChIKeyURNOARJOTIWYAO-UHFFFAOYSA-N
XLogP3.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[3-methyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]carbamate
CID 123753749
tert-butyl N-(3,5-dimethylphenyl)carbamate;ethane
CID 143766104
tert-butyl N-(5-hydroxy-3-pyridinyl)carbamate
CID 57421818
tert-butyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 65143138
tert-butyl N-(2,6-dibromo-4-pyridinyl)carbamate
CID 121232345
tert-butyl N-(3-carbamimidoyl-5-methylphenyl)carbamate
CID 130720350
tert-butyl N-[(2R)-1-(3,5-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 14440788
tert-butyl N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]carbamate
CID 14440786
methyl 3-(3-hydroxy-5-methoxycarbonylphenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]benzoate
CID 56973175
tert-butyl N-[3-(4-cyanophenoxy)-5-hydroxyphenyl]carbamate
CID 66818758
tert-butyl N-[4-(4-hydroxyphenyl)phenyl]carbamate
CID 53218743
tert-butyl N-(3,5-dinitrosophenyl)carbamate
CID 129228787

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate (CID 22033548) is tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate is Cc1cc(O)cc(NC(=O)OC(C)(C)C)c1.
What is the InChIKey of tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate?
The InChIKey is URNOARJOTIWYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-8-5-9(7-10(14)6-8)13-11(15)16-12(2,3)4/h5-7,14H,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate?
tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate has a molecular weight of 223.27 g/mol, XLogP of 3.05, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxy-5-methylphenyl)carbamate is sourced from PubChem (CID 22033548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).