2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol

C11H17NO3 — CID 83909620

IUPAC2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol
SMILESCOc1cccc(C(C)C(N)CO)c1O
InChIInChI=1S/C11H17NO3/c1-7(9(12)6-13)8-4-3-5-10(15-2)11(8)14/h3-5,7,9,13-14H,6,12H2,1-2H3
InChIKeyYZQCBBPYPGZCNX-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.82
Rot. Bonds4

About 2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol

2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol (PubChem CID 83909620) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol.

Molecular Properties

Compound Name2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol
PubChem CID83909620
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol
SMILESCOc1cccc(C(C)C(N)CO)c1O
InChIInChI=1S/C11H17NO3/c1-7(9(12)6-13)8-4-3-5-10(15-2)11(8)14/h3-5,7,9,13-14H,6,12H2,1-2H3
InChIKeyYZQCBBPYPGZCNX-UHFFFAOYSA-N
XLogP0.82
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(1R)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171231915
2-[(1S)-1-amino-2-hydroxyethyl]-6-methoxyphenol;hydrochloride
CID 171212313
2-[(1S)-1-amino-3-hydroxypropyl]-6-methoxyphenol;hydrochloride
CID 171231919
2-(2-amino-1-hydroxyethyl)-6-methoxyphenol
CID 16768128
2-[(1R)-1-aminobutyl]-6-methoxyphenol
CID 171212277
2-[(1R)-1-amino-2,2-difluoro-3-hydroxypropyl]-6-methoxyphenol
CID 171243718
2-[(1S)-1-amino-2,2-dimethylpropyl]-6-methoxyphenol
CID 131557071
3-amino-3-(2-hydroxy-3-methoxyphenyl)propanamide
CID 170875664
2-amino-2-(2-methoxyphenyl)ethanol
CID 10352062
2-(5-amino-4-hydroxypentan-2-yl)-6-methoxyphenol
CID 83930686
ethyl (3R)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanoate
CID 171212314
(3S)-3-amino-3-(2-hydroxy-3-methoxyphenyl)propanenitrile;hydrochloride
CID 171260133

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol?
The IUPAC name of 2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol (CID 83909620) is 2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol.
What is the SMILES notation for 2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol?
The canonical SMILES for 2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol is COc1cccc(C(C)C(N)CO)c1O.
What is the InChIKey of 2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol?
The InChIKey is YZQCBBPYPGZCNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-7(9(12)6-13)8-4-3-5-10(15-2)11(8)14/h3-5,7,9,13-14H,6,12H2,1-2H3.
What are the key properties of 2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol?
2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol has a molecular weight of 211.26 g/mol, XLogP of 0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-4-hydroxybutan-2-yl)-6-methoxyphenol is sourced from PubChem (CID 83909620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).