methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate

C10H13NO3 — CID 46786378

IUPACmethyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate
SMILESCOC(=O)Nc1c(C)cc(O)cc1C
InChIInChI=1S/C10H13NO3/c1-6-4-8(12)5-7(2)9(6)11-10(13)14-3/h4-5,12H,1-3H3,(H,11,13)
InChIKeyVWOCEHUCNAQMEW-UHFFFAOYSA-N
MW195.22 g/mol
LogP2.19
Rot. Bonds1

About methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate

methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate (PubChem CID 46786378) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate
PubChem CID46786378
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate
SMILESCOC(=O)Nc1c(C)cc(O)cc1C
InChIInChI=1S/C10H13NO3/c1-6-4-8(12)5-7(2)9(6)11-10(13)14-3/h4-5,12H,1-3H3,(H,11,13)
InChIKeyVWOCEHUCNAQMEW-UHFFFAOYSA-N
XLogP2.19
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-methoxy-3,4,6-trimethylphenyl)carbamate
CID 115190424
tert-butyl N-[2,6-dimethyl-4-(1,1,1-trifluoro-2-hydroxypropan-2-yl)phenyl]carbamate
CID 123402023
N-(4-hydroxy-2,6-dimethylphenyl)prop-2-enamide
CID 151343471
2-(ethylamino)-N-(4-hydroxy-2,6-dimethylphenyl)acetamide
CID 67573843
methyl N-(2,6-dibromo-4-methylphenyl)carbamate
CID 116654064
methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
(Z)-4-(2,4-dihydroxy-6-methylanilino)-4-oxobut-2-enoic acid
CID 144523283
N-(4-methoxy-2,6-dimethylphenyl)acetamide
CID 5268765
methylcarbamic acid;methyl N-(3-hydroxyphenyl)carbamate
CID 23619088
2-chloro-N-(4-hydroxy-2,6-dimethylphenyl)benzamide
CID 706333
tert-butyl N-(4-hydroxy-2,3,6-trimethylphenyl)carbamate
CID 10729437
methyl N-(3-fluoro-5-methyl-4-pyridinyl)carbamate
CID 137390539

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate?
The IUPAC name of methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate (CID 46786378) is methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate.
What is the SMILES notation for methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate?
The canonical SMILES for methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate is COC(=O)Nc1c(C)cc(O)cc1C.
What is the InChIKey of methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate?
The InChIKey is VWOCEHUCNAQMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-6-4-8(12)5-7(2)9(6)11-10(13)14-3/h4-5,12H,1-3H3,(H,11,13).
What are the key properties of methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate?
methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate has a molecular weight of 195.22 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-hydroxy-2,6-dimethylphenyl)carbamate is sourced from PubChem (CID 46786378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).