2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol

C15H15NO4 — CID 15574255

IUPAC2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol
SMILESCc1ccc(O)c(Cc2cc(C)cc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C15H15NO4/c1-9-3-4-14(17)11(5-9)8-12-6-10(2)7-13(15(12)18)16(19)20/h3-7,17-18H,8H2,1-2H3
InChIKeyOCRQBZXIUUNRHQ-UHFFFAOYSA-N
MW273.29 g/mol
LogP3.21
Rot. Bonds3

About 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol

2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol (PubChem CID 15574255) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol
PubChem CID15574255
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol
SMILESCc1ccc(O)c(Cc2cc(C)cc([N+](=O)[O-])c2O)c1
InChIInChI=1S/C15H15NO4/c1-9-3-4-14(17)11(5-9)8-12-6-10(2)7-13(15(12)18)16(19)20/h3-7,17-18H,8H2,1-2H3
InChIKeyOCRQBZXIUUNRHQ-UHFFFAOYSA-N
XLogP3.21
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol?
The IUPAC name of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol (CID 15574255) is 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol.
What is the SMILES notation for 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol?
The canonical SMILES for 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol is Cc1ccc(O)c(Cc2cc(C)cc([N+](=O)[O-])c2O)c1.
What is the InChIKey of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol?
The InChIKey is OCRQBZXIUUNRHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO4/c1-9-3-4-14(17)11(5-9)8-12-6-10(2)7-13(15(12)18)16(19)20/h3-7,17-18H,8H2,1-2H3.
What are the key properties of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol?
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol has a molecular weight of 273.29 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methyl-6-nitrophenol is sourced from PubChem (CID 15574255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).