4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol

C11H17NO3 — CID 171200778

IUPAC4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1[C@H](N)CCCO
InChIInChI=1S/C11H17NO3/c1-15-11-7-8(14)4-5-9(11)10(12)3-2-6-13/h4-5,7,10,13-14H,2-3,6,12H2,1H3/t10-/m1/s1
InChIKeyHQEJGXVKBYDVOM-SNVBAGLBSA-N
MW211.26 g/mol
LogP1.17
Rot. Bonds5

About 4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol

4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol (PubChem CID 171200778) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol.

Molecular Properties

Compound Name4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol
PubChem CID171200778
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol
SMILESCOc1cc(O)ccc1[C@H](N)CCCO
InChIInChI=1S/C11H17NO3/c1-15-11-7-8(14)4-5-9(11)10(12)3-2-6-13/h4-5,7,10,13-14H,2-3,6,12H2,1H3/t10-/m1/s1
InChIKeyHQEJGXVKBYDVOM-SNVBAGLBSA-N
XLogP1.17
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(1R)-1,4-diaminobutyl]-3-methoxyphenol
CID 171200731
4-amino-4-(2,4-dimethoxyphenyl)butan-1-ol
CID 116861411
(4R)-4-amino-4-(4-bromo-2-methoxyphenyl)butan-1-ol;hydrochloride
CID 171204824
3-[(1S)-1-amino-3-hydroxypropyl]-4-methoxyphenol
CID 55271938
4-[(1S)-1-amino-3-methylbut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171220305
4-[(1R)-1-amino-3-methylbut-3-enyl]-3-methoxyphenol;hydrochloride
CID 171200767
2-[(1R)-1-amino-4-hydroxybutyl]benzene-1,4-diol
CID 55265459
4-[(1R)-1-amino-2-cyclopropylethyl]-3-methoxyphenol;hydrochloride
CID 171200749
(4R)-4-amino-4-(2,5-dimethoxyphenyl)butan-1-ol;hydrochloride
CID 171200259
2-[(1R)-1-amino-4-hydroxybutyl]-4-bromo-6-methoxyphenol
CID 171212914
3-amino-3-[4-(dimethylamino)-2-methoxyphenyl]propan-1-ol
CID 170874587
3-[(1R)-1-amino-2-hydroxyethyl]-4-methoxyphenol
CID 55292444

Frequently Asked Questions

What is the IUPAC name of 4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol?
The IUPAC name of 4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol (CID 171200778) is 4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol.
What is the SMILES notation for 4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol?
The canonical SMILES for 4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol is COc1cc(O)ccc1[C@H](N)CCCO.
What is the InChIKey of 4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol?
The InChIKey is HQEJGXVKBYDVOM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H17NO3/c1-15-11-7-8(14)4-5-9(11)10(12)3-2-6-13/h4-5,7,10,13-14H,2-3,6,12H2,1H3/t10-/m1/s1.
What are the key properties of 4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol?
4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol has a molecular weight of 211.26 g/mol, XLogP of 1.17, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1R)-1-amino-4-hydroxybutyl]-3-methoxyphenol is sourced from PubChem (CID 171200778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).