2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol

C8H10BrNO2 — CID 84795166

IUPAC2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol
SMILESCc1c(CNO)ccc(O)c1Br
InChIInChI=1S/C8H10BrNO2/c1-5-6(4-10-12)2-3-7(11)8(5)9/h2-3,10-12H,4H2,1H3
InChIKeyYHWDOWONAXRMFL-UHFFFAOYSA-N
MW232.08 g/mol
LogP1.94
Rot. Bonds2

About 2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol

2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol (PubChem CID 84795166) has the molecular formula C8H10BrNO2 and a molecular weight of 232.08 g/mol. Its IUPAC name is 2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol.

Molecular Properties

Compound Name2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol
PubChem CID84795166
Molecular FormulaC8H10BrNO2
Molecular Weight232.08 g/mol
Exact Mass230.99
IUPAC Name2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol
SMILESCc1c(CNO)ccc(O)c1Br
InChIInChI=1S/C8H10BrNO2/c1-5-6(4-10-12)2-3-7(11)8(5)9/h2-3,10-12H,4H2,1H3
InChIKeyYHWDOWONAXRMFL-UHFFFAOYSA-N
XLogP1.94
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.08
LogP ≤ 51.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-2-bromo-3-methylphenol
CID 84784548
2-(3-bromo-4-hydroxy-2-methylphenyl)acetic acid
CID 84802752
6-[(hydroxyamino)methyl]-2,3-dimethylphenol
CID 117276536
N-[(4-bromo-2-methylphenyl)methyl]hydroxylamine
CID 54220149
N-[(7-bromo-6-methyl-1,3-benzodioxol-5-yl)methyl]hydroxylamine
CID 117403820
4-[(hydroxyamino)methyl]benzene-1,3-diol
CID 10261303
4-tert-butyl-2-[(hydroxyamino)methyl]phenol
CID 117285539
3-bromo-2-chloro-6-[(hydroxyamino)methyl]phenol
CID 84804289
2-bromo-4-methoxy-3-methylphenol
CID 54571766
4-(1-fluoroethyl)-2-[(hydroxyamino)methyl]phenol
CID 117280151
N-[(2-bromo-3-methoxyphenyl)methyl]hydroxylamine
CID 117335656
4-(1-aminopropan-2-yl)-2-bromo-3-methylphenol
CID 84802471

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol?
The IUPAC name of 2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol (CID 84795166) is 2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol.
What is the SMILES notation for 2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol?
The canonical SMILES for 2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol is Cc1c(CNO)ccc(O)c1Br.
What is the InChIKey of 2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol?
The InChIKey is YHWDOWONAXRMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrNO2/c1-5-6(4-10-12)2-3-7(11)8(5)9/h2-3,10-12H,4H2,1H3.
What are the key properties of 2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol?
2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol has a molecular weight of 232.08 g/mol, XLogP of 1.94, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(hydroxyamino)methyl]-3-methylphenol is sourced from PubChem (CID 84795166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).