2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride

C14H15Cl2NO2 — CID 155513388

IUPAC2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride
SMILESCc1ccc(C(ON)c2ccc(Cl)cc2)c(O)c1.Cl
InChIInChI=1S/C14H14ClNO2.ClH/c1-9-2-7-12(13(17)8-9)14(18-16)10-3-5-11(15)6-4-10;/h2-8,14,17H,16H2,1H3;1H
InChIKeyDOWISSRARHSYBN-UHFFFAOYSA-N
MW300.19 g/mol
LogP3.76
Rot. Bonds3

About 2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride

2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride (PubChem CID 155513388) has the molecular formula C14H15Cl2NO2 and a molecular weight of 300.19 g/mol. Its IUPAC name is 2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride.

Molecular Properties

Compound Name2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride
PubChem CID155513388
Molecular FormulaC14H15Cl2NO2
Molecular Weight300.19 g/mol
Exact Mass299.05
IUPAC Name2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride
SMILESCc1ccc(C(ON)c2ccc(Cl)cc2)c(O)c1.Cl
InChIInChI=1S/C14H14ClNO2.ClH/c1-9-2-7-12(13(17)8-9)14(18-16)10-3-5-11(15)6-4-10;/h2-8,14,17H,16H2,1H3;1H
InChIKeyDOWISSRARHSYBN-UHFFFAOYSA-N
XLogP3.76
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.19
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride?
The IUPAC name of 2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride (CID 155513388) is 2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride.
What is the SMILES notation for 2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride?
The canonical SMILES for 2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride is Cc1ccc(C(ON)c2ccc(Cl)cc2)c(O)c1.Cl.
What is the InChIKey of 2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride?
The InChIKey is DOWISSRARHSYBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClNO2.ClH/c1-9-2-7-12(13(17)8-9)14(18-16)10-3-5-11(15)6-4-10;/h2-8,14,17H,16H2,1H3;1H.
What are the key properties of 2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride?
2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride has a molecular weight of 300.19 g/mol, XLogP of 3.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[aminooxy-(4-chlorophenyl)methyl]-5-methylphenol;hydrochloride is sourced from PubChem (CID 155513388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).