5-amino-4-chloro-2-methylphenol;hydrochloride

C7H9Cl2NO — CID 22153846

IUPAC5-amino-4-chloro-2-methylphenol;hydrochloride
SMILESCc1cc(Cl)c(N)cc1O.Cl
InChIInChI=1S/C7H8ClNO.ClH/c1-4-2-5(8)6(9)3-7(4)10;/h2-3,10H,9H2,1H3;1H
InChIKeyKPBXDJZVHWRFLV-UHFFFAOYSA-N
MW194.06 g/mol
LogP2.36
Rot. Bonds

About 5-amino-4-chloro-2-methylphenol;hydrochloride

5-amino-4-chloro-2-methylphenol;hydrochloride (PubChem CID 22153846) has the molecular formula C7H9Cl2NO and a molecular weight of 194.06 g/mol. Its IUPAC name is 5-amino-4-chloro-2-methylphenol;hydrochloride.

Molecular Properties

Compound Name5-amino-4-chloro-2-methylphenol;hydrochloride
PubChem CID22153846
Molecular FormulaC7H9Cl2NO
Molecular Weight194.06 g/mol
Exact Mass193.01
IUPAC Name5-amino-4-chloro-2-methylphenol;hydrochloride
SMILESCc1cc(Cl)c(N)cc1O.Cl
InChIInChI=1S/C7H8ClNO.ClH/c1-4-2-5(8)6(9)3-7(4)10;/h2-3,10H,9H2,1H3;1H
InChIKeyKPBXDJZVHWRFLV-UHFFFAOYSA-N
XLogP2.36
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.06
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-chloro-2-methylphenol;hydrochloride?
The IUPAC name of 5-amino-4-chloro-2-methylphenol;hydrochloride (CID 22153846) is 5-amino-4-chloro-2-methylphenol;hydrochloride.
What is the SMILES notation for 5-amino-4-chloro-2-methylphenol;hydrochloride?
The canonical SMILES for 5-amino-4-chloro-2-methylphenol;hydrochloride is Cc1cc(Cl)c(N)cc1O.Cl.
What is the InChIKey of 5-amino-4-chloro-2-methylphenol;hydrochloride?
The InChIKey is KPBXDJZVHWRFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO.ClH/c1-4-2-5(8)6(9)3-7(4)10;/h2-3,10H,9H2,1H3;1H.
What are the key properties of 5-amino-4-chloro-2-methylphenol;hydrochloride?
5-amino-4-chloro-2-methylphenol;hydrochloride has a molecular weight of 194.06 g/mol, XLogP of 2.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-chloro-2-methylphenol;hydrochloride is sourced from PubChem (CID 22153846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).