butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium

C12H20NO2+ — CID 2057149

IUPACbutyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium
SMILESCCCC[NH2+]C[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3/p+1/t12-/m0/s1
InChIKeyRDUHXGIIUDVSHR-LBPRGKRZSA-O
MW210.30 g/mol
LogP0.79
Rot. Bonds6

About butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium

butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium (PubChem CID 2057149) has the molecular formula C12H20NO2+ and a molecular weight of 210.30 g/mol. Its IUPAC name is butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium.

Molecular Properties

Compound Namebutyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium
PubChem CID2057149
Molecular FormulaC12H20NO2+
Molecular Weight210.30 g/mol
Exact Mass210.15
IUPAC Namebutyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium
SMILESCCCC[NH2+]C[C@H](O)c1ccc(O)cc1
InChIInChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3/p+1/t12-/m0/s1
InChIKeyRDUHXGIIUDVSHR-LBPRGKRZSA-O
XLogP0.79
TPSA57.07 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.30
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium 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-(1-hydroxytridecyl)phenol
CID 57120972
4-[(1R)-2-(butylamino)-1-hydroxyethyl]phenol
CID 2057150
[1-hydroxy-1-(4-hydroxyphenyl)propan-2-yl]-propylazanium chloride
CID 110184055
4-[1-(4-hydroxyphenyl)propyl]phenol;undecane
CID 174905836
4-hexan-2-ylphenol
CID 12579179
4-undecan-6-ylphenol
CID 66867197
(1R)-1-(4-hydroxyphenyl)butane-1,4-diol
CID 23836266
4-(1-hydrazinylpentyl)phenol
CID 53402339
4-hexadecan-7-ylphenol
CID 71320883
[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]azanium
CID 38988422
4-[(1S)-2-chloro-1-hydroxyethyl]phenol
CID 93341607
4-(1-hydroxyhex-3-enyl)phenol
CID 175548143

Frequently Asked Questions

What is the IUPAC name of butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium?
The IUPAC name of butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium (CID 2057149) is butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium.
What is the SMILES notation for butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium?
The canonical SMILES for butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium is CCCC[NH2+]C[C@H](O)c1ccc(O)cc1.
What is the InChIKey of butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium?
The InChIKey is RDUHXGIIUDVSHR-LBPRGKRZSA-O. The full InChI is InChI=1S/C12H19NO2/c1-2-3-8-13-9-12(15)10-4-6-11(14)7-5-10/h4-7,12-15H,2-3,8-9H2,1H3/p+1/t12-/m0/s1.
What are the key properties of butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium?
butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium has a molecular weight of 210.30 g/mol, XLogP of 0.79, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-[(2R)-2-hydroxy-2-(4-hydroxyphenyl)ethyl]azanium is sourced from PubChem (CID 2057149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).