methyl N-(2-hydroxy-4-methylphenyl)carbamate

C9H11NO3 — CID 61269197

IUPACmethyl N-(2-hydroxy-4-methylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C9H11NO3/c1-6-3-4-7(8(11)5-6)10-9(12)13-2/h3-5,11H,1-2H3,(H,10,12)
InChIKeyOXPMQVDWVVNKQR-UHFFFAOYSA-N
MW181.19 g/mol
LogP1.88
Rot. Bonds1

About methyl N-(2-hydroxy-4-methylphenyl)carbamate

methyl N-(2-hydroxy-4-methylphenyl)carbamate (PubChem CID 61269197) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl N-(2-hydroxy-4-methylphenyl)carbamate.

Molecular Properties

Compound Namemethyl N-(2-hydroxy-4-methylphenyl)carbamate
PubChem CID61269197
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl N-(2-hydroxy-4-methylphenyl)carbamate
SMILESCOC(=O)Nc1ccc(C)cc1O
InChIInChI=1S/C9H11NO3/c1-6-3-4-7(8(11)5-6)10-9(12)13-2/h3-5,11H,1-2H3,(H,10,12)
InChIKeyOXPMQVDWVVNKQR-UHFFFAOYSA-N
XLogP1.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2-hydroxy-4-methylphenyl)carbamic acid
CID 150954489
3-(2-hydroxy-4-methylphenyl)-1,1-dimethylurea
CID 79154521
methyl N-(2-hydroxyphenyl)carbamate
CID 819280
cyclopentyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 112738572
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 113340015
(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127013339
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
N-(2-hydroxy-4-methylphenyl)-2,5-dimethoxybenzamide
CID 18108995
N-(2-hydroxy-4-methylphenyl)-4-(methoxymethyl)benzamide
CID 8638574
1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909666
2-ethyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 1234613

Frequently Asked Questions

What is the IUPAC name of methyl N-(2-hydroxy-4-methylphenyl)carbamate?
The IUPAC name of methyl N-(2-hydroxy-4-methylphenyl)carbamate (CID 61269197) is methyl N-(2-hydroxy-4-methylphenyl)carbamate.
What is the SMILES notation for methyl N-(2-hydroxy-4-methylphenyl)carbamate?
The canonical SMILES for methyl N-(2-hydroxy-4-methylphenyl)carbamate is COC(=O)Nc1ccc(C)cc1O.
What is the InChIKey of methyl N-(2-hydroxy-4-methylphenyl)carbamate?
The InChIKey is OXPMQVDWVVNKQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-6-3-4-7(8(11)5-6)10-9(12)13-2/h3-5,11H,1-2H3,(H,10,12).
What are the key properties of methyl N-(2-hydroxy-4-methylphenyl)carbamate?
methyl N-(2-hydroxy-4-methylphenyl)carbamate has a molecular weight of 181.19 g/mol, XLogP of 1.88, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(2-hydroxy-4-methylphenyl)carbamate is sourced from PubChem (CID 61269197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).