4-(4-hydroxy-3-methylanilino)-2-methylphenol

C14H15NO2 — CID 67263150

IUPAC4-(4-hydroxy-3-methylanilino)-2-methylphenol
SMILESCc1cc(Nc2ccc(O)c(C)c2)ccc1O
InChIInChI=1S/C14H15NO2/c1-9-7-11(3-5-13(9)16)15-12-4-6-14(17)10(2)8-12/h3-8,15-17H,1-2H3
InChIKeyRVPXRIPDDVBJED-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.46
Rot. Bonds2

About 4-(4-hydroxy-3-methylanilino)-2-methylphenol

4-(4-hydroxy-3-methylanilino)-2-methylphenol (PubChem CID 67263150) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylanilino)-2-methylphenol.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylanilino)-2-methylphenol
PubChem CID67263150
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name4-(4-hydroxy-3-methylanilino)-2-methylphenol
SMILESCc1cc(Nc2ccc(O)c(C)c2)ccc1O
InChIInChI=1S/C14H15NO2/c1-9-7-11(3-5-13(9)16)15-12-4-6-14(17)10(2)8-12/h3-8,15-17H,1-2H3
InChIKeyRVPXRIPDDVBJED-UHFFFAOYSA-N
XLogP3.46
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylanilino)-2-methylphenol?
The IUPAC name of 4-(4-hydroxy-3-methylanilino)-2-methylphenol (CID 67263150) is 4-(4-hydroxy-3-methylanilino)-2-methylphenol.
What is the SMILES notation for 4-(4-hydroxy-3-methylanilino)-2-methylphenol?
The canonical SMILES for 4-(4-hydroxy-3-methylanilino)-2-methylphenol is Cc1cc(Nc2ccc(O)c(C)c2)ccc1O.
What is the InChIKey of 4-(4-hydroxy-3-methylanilino)-2-methylphenol?
The InChIKey is RVPXRIPDDVBJED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-7-11(3-5-13(9)16)15-12-4-6-14(17)10(2)8-12/h3-8,15-17H,1-2H3.
What are the key properties of 4-(4-hydroxy-3-methylanilino)-2-methylphenol?
4-(4-hydroxy-3-methylanilino)-2-methylphenol has a molecular weight of 229.28 g/mol, XLogP of 3.46, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylanilino)-2-methylphenol is sourced from PubChem (CID 67263150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).