(2-hydroxy-4-methylphenyl)carbamic acid

C8H9NO3 — CID 150954489

IUPAC(2-hydroxy-4-methylphenyl)carbamic acid
SMILESCc1ccc(NC(=O)O)c(O)c1
InChIInChI=1S/C8H9NO3/c1-5-2-3-6(7(10)4-5)9-8(11)12/h2-4,9-10H,1H3,(H,11,12)
InChIKeyLKUJIVSLROUXRD-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.79
Rot. Bonds1

About (2-hydroxy-4-methylphenyl)carbamic acid

(2-hydroxy-4-methylphenyl)carbamic acid (PubChem CID 150954489) has the molecular formula C8H9NO3 and a molecular weight of 167.16 g/mol. Its IUPAC name is (2-hydroxy-4-methylphenyl)carbamic acid.

Molecular Properties

Compound Name(2-hydroxy-4-methylphenyl)carbamic acid
PubChem CID150954489
Molecular FormulaC8H9NO3
Molecular Weight167.16 g/mol
Exact Mass167.06
IUPAC Name(2-hydroxy-4-methylphenyl)carbamic acid
SMILESCc1ccc(NC(=O)O)c(O)c1
InChIInChI=1S/C8H9NO3/c1-5-2-3-6(7(10)4-5)9-8(11)12/h2-4,9-10H,1H3,(H,11,12)
InChIKeyLKUJIVSLROUXRD-UHFFFAOYSA-N
XLogP1.79
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl N-(2-hydroxy-4-methylphenyl)carbamate
CID 61269197
3-(2-hydroxy-4-methylphenyl)-1,1-dimethylurea
CID 79154521
2-chloro-N-(2-hydroxy-4-methylphenyl)acetamide
CID 23513422
(2R)-2-amino-N-(2-hydroxy-4-methylphenyl)propanamide
CID 127013339
4-hydroxy-N-(2-hydroxy-4-methylphenyl)benzamide
CID 60654456
9-(2-hydroxy-4-methylanilino)-9-oxononanoic acid
CID 22468230
1-(2-hydroxy-4-methylphenyl)-3-[(E)-prop-1-enyl]urea
CID 108909666
2-ethyl-N-(2-hydroxy-4-methylphenyl)butanamide
CID 1234613
1,1-diethyl-3-(2-hydroxy-4-methylphenyl)urea
CID 14208459
N-(2-hydroxy-4-methylphenyl)-2-(2-methoxyethoxy)acetamide
CID 113340015
(2R)-N-(2-hydroxy-4-methylphenyl)-2-(4-methylphenoxy)propanamide
CID 92534084
N-(2-hydroxy-4-methylphenyl)-3-phenylprop-2-enamide
CID 4248844

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-4-methylphenyl)carbamic acid?
The IUPAC name of (2-hydroxy-4-methylphenyl)carbamic acid (CID 150954489) is (2-hydroxy-4-methylphenyl)carbamic acid.
What is the SMILES notation for (2-hydroxy-4-methylphenyl)carbamic acid?
The canonical SMILES for (2-hydroxy-4-methylphenyl)carbamic acid is Cc1ccc(NC(=O)O)c(O)c1.
What is the InChIKey of (2-hydroxy-4-methylphenyl)carbamic acid?
The InChIKey is LKUJIVSLROUXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO3/c1-5-2-3-6(7(10)4-5)9-8(11)12/h2-4,9-10H,1H3,(H,11,12).
What are the key properties of (2-hydroxy-4-methylphenyl)carbamic acid?
(2-hydroxy-4-methylphenyl)carbamic acid has a molecular weight of 167.16 g/mol, XLogP of 1.79, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-4-methylphenyl)carbamic acid is sourced from PubChem (CID 150954489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).