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

C15H25NO3 — CID 139768839

IUPAC4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol
SMILESCC(C)(C)c1ccc(O)c(CC(O)CNCCO)c1
InChIInChI=1S/C15H25NO3/c1-15(2,3)12-4-5-14(19)11(8-12)9-13(18)10-16-6-7-17/h4-5,8,13,16-19H,6-7,9-10H2,1-3H3
InChIKeyHRJLUJFJFYKPSN-UHFFFAOYSA-N
MW267.37 g/mol
LogP1.17
Rot. Bonds6

About 4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol

4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol (PubChem CID 139768839) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol.

Molecular Properties

Compound Name4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol
PubChem CID139768839
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol
SMILESCC(C)(C)c1ccc(O)c(CC(O)CNCCO)c1
InChIInChI=1S/C15H25NO3/c1-15(2,3)12-4-5-14(19)11(8-12)9-13(18)10-16-6-7-17/h4-5,8,13,16-19H,6-7,9-10H2,1-3H3
InChIKeyHRJLUJFJFYKPSN-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-hydroxy-3-(2-hydroxyethylamino)propyl]phenol
CID 139768859
2-[(2-aminoethylamino)methyl]-4-tert-butylphenol
CID 12761847
2-(2-amino-2-methylpropyl)-4-tert-butylphenol
CID 117317076
4-tert-butyl-2-[(hydroxyamino)methyl]phenol
CID 117285539
1-amino-3-(5-tert-butyl-2-methylphenyl)propan-2-ol
CID 116859137
4-tert-butyl-2-[2-[(5-tert-butyl-2-hydroxyphenyl)methyl]prop-2-enyl]phenol
CID 15322598
2-[(5-tert-butyl-2-methoxyphenyl)methylamino]ethanol
CID 94687236
1-[3-[2-(4-tert-butylphenoxy)ethylamino]-2-hydroxypropyl]-9H-carbazol-4-ol
CID 56635462
4-[2-(2,3-dihydroxypropylamino)ethyl]benzene-1,2-diol
CID 70596996
1-amino-3-(4-tert-butyl-2-methylphenyl)propan-2-ol
CID 116859183
4-tert-butyl-2-[[4-[(5-tert-butyl-2-hydroxyphenyl)methyl]piperazin-1-yl]methyl]phenol
CID 1098143
2-(5-tert-butyl-2-methylanilino)ethanol
CID 82492429

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol?
The IUPAC name of 4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol (CID 139768839) is 4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol.
What is the SMILES notation for 4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol?
The canonical SMILES for 4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol is CC(C)(C)c1ccc(O)c(CC(O)CNCCO)c1.
What is the InChIKey of 4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol?
The InChIKey is HRJLUJFJFYKPSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-15(2,3)12-4-5-14(19)11(8-12)9-13(18)10-16-6-7-17/h4-5,8,13,16-19H,6-7,9-10H2,1-3H3.
What are the key properties of 4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol?
4-tert-butyl-2-[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 4-tert-butyl-2-[2-hydroxy-3-(2-hydroxyethylamino)propyl]phenol is sourced from PubChem (CID 139768839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).