3-amino-4-chloro-2-methylphenol

C7H8ClNO — CID 22708831

IUPAC3-amino-4-chloro-2-methylphenol
SMILESCc1c(O)ccc(Cl)c1N
InChIInChI=1S/C7H8ClNO/c1-4-6(10)3-2-5(8)7(4)9/h2-3,10H,9H2,1H3
InChIKeyHEVTVENFBFXVGR-UHFFFAOYSA-N
MW157.60 g/mol
LogP1.94
Rot. Bonds

About 3-amino-4-chloro-2-methylphenol

3-amino-4-chloro-2-methylphenol (PubChem CID 22708831) has the molecular formula C7H8ClNO and a molecular weight of 157.60 g/mol. Its IUPAC name is 3-amino-4-chloro-2-methylphenol.

Molecular Properties

Compound Name3-amino-4-chloro-2-methylphenol
PubChem CID22708831
Molecular FormulaC7H8ClNO
Molecular Weight157.60 g/mol
Exact Mass157.03
IUPAC Name3-amino-4-chloro-2-methylphenol
SMILESCc1c(O)ccc(Cl)c1N
InChIInChI=1S/C7H8ClNO/c1-4-6(10)3-2-5(8)7(4)9/h2-3,10H,9H2,1H3
InChIKeyHEVTVENFBFXVGR-UHFFFAOYSA-N
XLogP1.94
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.60
LogP ≤ 51.94
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 3-amino-4-chloro-2-methylphenol?
The IUPAC name of 3-amino-4-chloro-2-methylphenol (CID 22708831) is 3-amino-4-chloro-2-methylphenol.
What is the SMILES notation for 3-amino-4-chloro-2-methylphenol?
The canonical SMILES for 3-amino-4-chloro-2-methylphenol is Cc1c(O)ccc(Cl)c1N.
What is the InChIKey of 3-amino-4-chloro-2-methylphenol?
The InChIKey is HEVTVENFBFXVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNO/c1-4-6(10)3-2-5(8)7(4)9/h2-3,10H,9H2,1H3.
What are the key properties of 3-amino-4-chloro-2-methylphenol?
3-amino-4-chloro-2-methylphenol has a molecular weight of 157.60 g/mol, XLogP of 1.94, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-chloro-2-methylphenol is sourced from PubChem (CID 22708831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).