4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol

C9H12ClNO3 — CID 84785759

IUPAC4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol
SMILESCOc1c(C(O)CN)ccc(O)c1Cl
InChIInChI=1S/C9H12ClNO3/c1-14-9-5(7(13)4-11)2-3-6(12)8(9)10/h2-3,7,12-13H,4,11H2,1H3
InChIKeyMFUCJSSELRVDQT-UHFFFAOYSA-N
MW217.65 g/mol
LogP1.05
Rot. Bonds3

About 4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol

4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol (PubChem CID 84785759) has the molecular formula C9H12ClNO3 and a molecular weight of 217.65 g/mol. Its IUPAC name is 4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol.

Molecular Properties

Compound Name4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol
PubChem CID84785759
Molecular FormulaC9H12ClNO3
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol
SMILESCOc1c(C(O)CN)ccc(O)c1Cl
InChIInChI=1S/C9H12ClNO3/c1-14-9-5(7(13)4-11)2-3-6(12)8(9)10/h2-3,7,12-13H,4,11H2,1H3
InChIKeyMFUCJSSELRVDQT-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

3-(3-chloro-4-hydroxy-2-methoxyphenyl)butanoic acid
CID 84802667
2-(2-amino-1-hydroxyethyl)-3,4-dimethoxyphenol
CID 84679635
3-(2-amino-1-hydroxyethyl)-2-chloro-4,5-dimethoxyphenol
CID 117372422
3-(2-amino-1-hydroxyethyl)-4-chloro-5-fluoro-2-methoxyphenol
CID 117343843
5-(2-amino-1-hydroxyethyl)-2-methoxy-3,4-dimethylphenol
CID 117301752
3-amino-1-(2-chloro-3,4-dimethoxyphenyl)propan-1-ol
CID 79138086
3-[2-amino-1-(2-chloro-3,4-dimethoxyphenyl)ethoxy]butan-2-ol
CID 103377157
4-[(1R)-2-(tert-butylamino)-1-hydroxyethyl]-3-chloro-2-methoxyphenol
CID 97170295
6-(1-aminopropan-2-yl)-3-chloro-2-methoxyphenol
CID 117307369
2-amino-1-(3-methoxy-4-methyl-2-propan-2-ylphenyl)ethanol
CID 84688656
2-amino-1-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)ethanol
CID 84707099
3-(2-amino-1-hydroxyethyl)-2-chloro-4-fluorophenol
CID 84778809

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol?
The IUPAC name of 4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol (CID 84785759) is 4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol.
What is the SMILES notation for 4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol?
The canonical SMILES for 4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol is COc1c(C(O)CN)ccc(O)c1Cl.
What is the InChIKey of 4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol?
The InChIKey is MFUCJSSELRVDQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO3/c1-14-9-5(7(13)4-11)2-3-6(12)8(9)10/h2-3,7,12-13H,4,11H2,1H3.
What are the key properties of 4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol?
4-(2-amino-1-hydroxyethyl)-2-chloro-3-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 4-(2-amino-1-hydroxyethyl)-2-chloro-3-methoxyphenol is sourced from PubChem (CID 84785759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).