2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol

C10H14ClNO2 — CID 20553842

IUPAC2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol
SMILESCc1c(C)c(Cl)c(O)c(CNO)c1C
InChIInChI=1S/C10H14ClNO2/c1-5-6(2)8(4-12-14)10(13)9(11)7(5)3/h12-14H,4H2,1-3H3
InChIKeyHWTQNKWLXVPIGX-UHFFFAOYSA-N
MW215.68 g/mol
LogP2.45
Rot. Bonds2

About 2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol

2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol (PubChem CID 20553842) has the molecular formula C10H14ClNO2 and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol.

Molecular Properties

Compound Name2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol
PubChem CID20553842
Molecular FormulaC10H14ClNO2
Molecular Weight215.68 g/mol
Exact Mass215.07
IUPAC Name2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol
SMILESCc1c(C)c(Cl)c(O)c(CNO)c1C
InChIInChI=1S/C10H14ClNO2/c1-5-6(2)8(4-12-14)10(13)9(11)7(5)3/h12-14H,4H2,1-3H3
InChIKeyHWTQNKWLXVPIGX-UHFFFAOYSA-N
XLogP2.45
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol?
The IUPAC name of 2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol (CID 20553842) is 2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol.
What is the SMILES notation for 2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol?
The canonical SMILES for 2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol is Cc1c(C)c(Cl)c(O)c(CNO)c1C.
What is the InChIKey of 2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol?
The InChIKey is HWTQNKWLXVPIGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNO2/c1-5-6(2)8(4-12-14)10(13)9(11)7(5)3/h12-14H,4H2,1-3H3.
What are the key properties of 2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol?
2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol has a molecular weight of 215.68 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(hydroxyamino)methyl]-3,4,5-trimethylphenol is sourced from PubChem (CID 20553842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).