2-amino-6-chloro-4-propylphenol

C9H12ClNO — CID 175267569

IUPAC2-amino-6-chloro-4-propylphenol
SMILESCCCc1cc(N)c(O)c(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-2-3-6-4-7(10)9(12)8(11)5-6/h4-5,12H,2-3,11H2,1H3
InChIKeyBHEOTTHVNLPKIS-UHFFFAOYSA-N
MW185.65 g/mol
LogP2.58
Rot. Bonds2

About 2-amino-6-chloro-4-propylphenol

2-amino-6-chloro-4-propylphenol (PubChem CID 175267569) has the molecular formula C9H12ClNO and a molecular weight of 185.65 g/mol. Its IUPAC name is 2-amino-6-chloro-4-propylphenol.

Molecular Properties

Compound Name2-amino-6-chloro-4-propylphenol
PubChem CID175267569
Molecular FormulaC9H12ClNO
Molecular Weight185.65 g/mol
Exact Mass185.06
IUPAC Name2-amino-6-chloro-4-propylphenol
SMILESCCCc1cc(N)c(O)c(Cl)c1
InChIInChI=1S/C9H12ClNO/c1-2-3-6-4-7(10)9(12)8(11)5-6/h4-5,12H,2-3,11H2,1H3
InChIKeyBHEOTTHVNLPKIS-UHFFFAOYSA-N
XLogP2.58
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.65
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-chloro-4-propylphenol?
The IUPAC name of 2-amino-6-chloro-4-propylphenol (CID 175267569) is 2-amino-6-chloro-4-propylphenol.
What is the SMILES notation for 2-amino-6-chloro-4-propylphenol?
The canonical SMILES for 2-amino-6-chloro-4-propylphenol is CCCc1cc(N)c(O)c(Cl)c1.
What is the InChIKey of 2-amino-6-chloro-4-propylphenol?
The InChIKey is BHEOTTHVNLPKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO/c1-2-3-6-4-7(10)9(12)8(11)5-6/h4-5,12H,2-3,11H2,1H3.
What are the key properties of 2-amino-6-chloro-4-propylphenol?
2-amino-6-chloro-4-propylphenol has a molecular weight of 185.65 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-chloro-4-propylphenol is sourced from PubChem (CID 175267569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).