3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol

C9H12ClNO3 — CID 117310235

IUPAC3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
SMILESCOc1c(C(N)CO)ccc(Cl)c1O
InChIInChI=1S/C9H12ClNO3/c1-14-9-5(7(11)4-12)2-3-6(10)8(9)13/h2-3,7,12-13H,4,11H2,1H3
InChIKeyQXSWCJKUADDXAV-UHFFFAOYSA-N
MW217.65 g/mol
LogP1.05
Rot. Bonds3

About 3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol

3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol (PubChem CID 117310235) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is 3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol.

Molecular Properties

Compound Name3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
PubChem CID117310235
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol
SMILESCOc1c(C(N)CO)ccc(Cl)c1O
InChIInChI=1S/C9H12ClNO3/c1-14-9-5(7(11)4-12)2-3-6(10)8(9)13/h2-3,7,12-13H,4,11H2,1H3
InChIKeyQXSWCJKUADDXAV-UHFFFAOYSA-N
XLogP1.05
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-(3-chloro-2-methoxyphenyl)ethanol
CID 82608026
2-(1-amino-2-hydroxyethyl)-6-chloro-4-methoxyphenol
CID 83887856
2-amino-2-(4-chloro-3-hydroxy-2-methoxyphenyl)acetic acid
CID 117335291
(2S)-2-amino-2-(2-chloro-4-methoxyphenyl)ethanol
CID 66514098
(2R)-2-amino-2-(2,3,4-trimethoxyphenyl)ethanol
CID 42579797
3-chloro-6-(1-hydroxypropan-2-yl)-2-methoxyphenol
CID 117308708
6-[(1S)-1-amino-2-hydroxyethyl]-2-bromo-3-chlorophenol;hydrochloride
CID 171257157
2-amino-2-(3-bromo-2,4-dimethoxyphenyl)ethanol
CID 84714339
(2S)-2-amino-2-(2,3-dimethoxyphenyl)ethanol
CID 55278202
2-amino-2-(5-chloro-2,3-difluoro-4-methoxyphenyl)ethanol
CID 84700339
6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol
CID 117307369
6-(1-amino-2-hydroxyethyl)-2-bromo-3-methoxy-4-methylphenol
CID 84810918

Frequently Asked Questions

What is the IUPAC name of 3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol?
The IUPAC name of 3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol (CID 117310235) is 3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol.
What is the SMILES notation for 3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol?
The canonical SMILES for 3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol is COc1c(C(N)CO)ccc(Cl)c1O.
What is the InChIKey of 3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol?
The InChIKey is QXSWCJKUADDXAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3/c1-14-9-5(7(11)4-12)2-3-6(10)8(9)13/h2-3,7,12-13H,4,11H2,1H3.
What are the key properties of 3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol?
3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol has a molecular weight of 217.65 g/mol, XLogP of 1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-amino-2-hydroxyethyl)-6-chloro-2-methoxyphenol is sourced from PubChem (CID 117310235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).