2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol

C15H25NO3 — CID 139768859

IUPAC2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol
SMILESCC(C)(C)c1cccc(CC(O)CNCCO)c1O
InChIInChI=1S/C15H25NO3/c1-15(2,3)13-6-4-5-11(14(13)19)9-12(18)10-16-7-8-17/h4-6,12,16-19H,7-10H2,1-3H3
InChIKeyNPMWSJKFJNYASH-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.17
Rot. Bonds6

About 2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol

2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol (PubChem CID 139768859) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol.

Molecular Properties

Compound Name2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol
PubChem CID139768859
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol
SMILESCC(C)(C)c1cccc(CC(O)CNCCO)c1O
InChIInChI=1S/C15H25NO3/c1-15(2,3)13-6-4-5-11(14(13)19)9-12(18)10-16-7-8-17/h4-6,12,16-19H,7-10H2,1-3H3
InChIKeyNPMWSJKFJNYASH-UHFFFAOYSA-N
XLogP1.17
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 51.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-tert-butyl-6-[(2-hydroxyethylamino)methyl]phenol
CID 21199225
4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol
CID 139768839
2-tert-butyl-6-[(3-tert-butyl-2-hydroxyphenyl)methyl]phenol;bis(propan-2-ol);titanium
CID 134902928
2-tert-butyl-6-[[2-[(3-tert-butyl-2-hydroxyphenyl)methylamino]propylamino]methyl]phenol
CID 123908661
2-tert-butyl-6-[[2,6-di(propan-2-yl)anilino]methyl]phenol
CID 174772917
2,6-ditert-butylphenol;N-ethylethanamine
CID 71675640
3-(3-tert-butyl-2-hydroxyphenyl)-N-(4-hydroxybutyl)propanamide
CID 21199692
2-tert-butyl-6-[[ethyl(2-hydroxyethyl)amino]methyl]phenol
CID 21199770
2-(2-hydroxypropyl)-6-(trifluoromethyl)phenol
CID 117313740
2-tert-butyl-6-[(2-phenylhydrazinyl)methyl]phenol
CID 169384285
2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol
CID 22216122
2-tert-butyl-6-pentadecylphenol
CID 151192860

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol?
The IUPAC name of 2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol (CID 139768859) is 2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol.
What is the SMILES notation for 2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol?
The canonical SMILES for 2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol is CC(C)(C)c1cccc(CC(O)CNCCO)c1O.
What is the InChIKey of 2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol?
The InChIKey is NPMWSJKFJNYASH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,3)13-6-4-5-11(14(13)19)9-12(18)10-16-7-8-17/h4-6,12,16-19H,7-10H2,1-3H3.
What are the key properties of 2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol?
2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 1.17, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol is sourced from PubChem (CID 139768859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).