4-amino-2-(4-methylphenyl)phenol;hydrochloride

C13H14ClNO — CID 22706619

IUPAC4-amino-2-(4-methylphenyl)phenol;hydrochloride
SMILESCc1ccc(-c2cc(N)ccc2O)cc1.Cl
InChIInChI=1S/C13H13NO.ClH/c1-9-2-4-10(5-3-9)12-8-11(14)6-7-13(12)15;/h2-8,15H,14H2,1H3;1H
InChIKeyXGKWEOLVPAJUGC-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.37
Rot. Bonds1

About 4-amino-2-(4-methylphenyl)phenol;hydrochloride

4-amino-2-(4-methylphenyl)phenol;hydrochloride (PubChem CID 22706619) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 4-amino-2-(4-methylphenyl)phenol;hydrochloride.

Molecular Properties

Compound Name4-amino-2-(4-methylphenyl)phenol;hydrochloride
PubChem CID22706619
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name4-amino-2-(4-methylphenyl)phenol;hydrochloride
SMILESCc1ccc(-c2cc(N)ccc2O)cc1.Cl
InChIInChI=1S/C13H13NO.ClH/c1-9-2-4-10(5-3-9)12-8-11(14)6-7-13(12)15;/h2-8,15H,14H2,1H3;1H
InChIKeyXGKWEOLVPAJUGC-UHFFFAOYSA-N
XLogP3.37
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4-methylphenyl)phenol;hydrochloride?
The IUPAC name of 4-amino-2-(4-methylphenyl)phenol;hydrochloride (CID 22706619) is 4-amino-2-(4-methylphenyl)phenol;hydrochloride.
What is the SMILES notation for 4-amino-2-(4-methylphenyl)phenol;hydrochloride?
The canonical SMILES for 4-amino-2-(4-methylphenyl)phenol;hydrochloride is Cc1ccc(-c2cc(N)ccc2O)cc1.Cl.
What is the InChIKey of 4-amino-2-(4-methylphenyl)phenol;hydrochloride?
The InChIKey is XGKWEOLVPAJUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO.ClH/c1-9-2-4-10(5-3-9)12-8-11(14)6-7-13(12)15;/h2-8,15H,14H2,1H3;1H.
What are the key properties of 4-amino-2-(4-methylphenyl)phenol;hydrochloride?
4-amino-2-(4-methylphenyl)phenol;hydrochloride has a molecular weight of 235.71 g/mol, XLogP of 3.37, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4-methylphenyl)phenol;hydrochloride is sourced from PubChem (CID 22706619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).