2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol

C9H12ClNO3 — CID 84785748

IUPAC2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol
SMILESCOc1cc(CN(C)O)cc(O)c1Cl
InChIInChI=1S/C9H12ClNO3/c1-11(13)5-6-3-7(12)9(10)8(4-6)14-2/h3-4,12-13H,5H2,1-2H3
InChIKeyWSNPAQHJAIATEB-UHFFFAOYSA-N
MW217.65 g/mol
LogP1.88
Rot. Bonds3

About 2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol

2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol (PubChem CID 84785748) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is 2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol.

Molecular Properties

Compound Name2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol
PubChem CID84785748
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol
SMILESCOc1cc(CN(C)O)cc(O)c1Cl
InChIInChI=1S/C9H12ClNO3/c1-11(13)5-6-3-7(12)9(10)8(4-6)14-2/h3-4,12-13H,5H2,1-2H3
InChIKeyWSNPAQHJAIATEB-UHFFFAOYSA-N
XLogP1.88
TPSA52.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-3-methoxy-5-(methylaminomethyl)phenol
CID 84776504
2-chloro-3-fluoro-5-[[hydroxy(methyl)amino]methyl]phenol
CID 84778798
4-chloro-5-methoxybenzene-1,3-diol
CID 130033872
3-(4-chloro-3-hydroxy-5-methoxyphenyl)-2-methylpropanoic acid
CID 84802661
4-[(dimethylamino)methyl]-2,6-dimethoxyphenol
CID 10066574
2-chloro-6-methoxy-4-[[methyl(pentan-3-yl)amino]methyl]phenol
CID 82976773
2,4-dichloro-3,5-dimethoxyphenol
CID 154103285
N-[(4-methoxy-3,5-dimethylphenyl)methyl]-N-methylhydroxylamine
CID 82606327
2-chloro-4-[[2-(dimethylamino)ethyl-methylamino]methyl]-6-methoxyphenol
CID 82981074
2-chloro-5-(1-hydroxycyclopropyl)-3-methoxyphenol
CID 84783596
N-methyl-N-[(3,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 117044084
[methyl-[(3,4,5-trimethoxyphenyl)methyl]amino]methanol
CID 115229222

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol?
The IUPAC name of 2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol (CID 84785748) is 2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol.
What is the SMILES notation for 2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol?
The canonical SMILES for 2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol is COc1cc(CN(C)O)cc(O)c1Cl.
What is the InChIKey of 2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol?
The InChIKey is WSNPAQHJAIATEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3/c1-11(13)5-6-3-7(12)9(10)8(4-6)14-2/h3-4,12-13H,5H2,1-2H3.
What are the key properties of 2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol?
2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol has a molecular weight of 217.65 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[[hydroxy(methyl)amino]methyl]-3-methoxyphenol is sourced from PubChem (CID 84785748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).