2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol

C24H36N2O6 — CID 101042913

IUPAC2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
SMILESCC(C)NCC(O)COc1ccc(O)c(-c2cc(OCC(O)CNC(C)C)ccc2O)c1
InChIInChI=1S/C24H36N2O6/c1-15(2)25-11-17(27)13-31-19-5-7-23(29)21(9-19)22-10-20(6-8-24(22)30)32-14-18(28)12-26-16(3)4/h5-10,15-18,25-30H,11-14H2,1-4H3
InChIKeyZCTAZBGTMMSZED-UHFFFAOYSA-N
MW448.56 g/mol
LogP2.24
Rot. Bonds13

About 2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol

2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol (PubChem CID 101042913) has the molecular formula C24H36N2O6 and a molecular weight of 448.56 g/mol. Its IUPAC name is 2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol.

Molecular Properties

Compound Name2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
PubChem CID101042913
Molecular FormulaC24H36N2O6
Molecular Weight448.56 g/mol
Exact Mass448.26
IUPAC Name2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
SMILESCC(C)NCC(O)COc1ccc(O)c(-c2cc(OCC(O)CNC(C)C)ccc2O)c1
InChIInChI=1S/C24H36N2O6/c1-15(2)25-11-17(27)13-31-19-5-7-23(29)21(9-19)22-10-20(6-8-24(22)30)32-14-18(28)12-26-16(3)4/h5-10,15-18,25-30H,11-14H2,1-4H3
InChIKeyZCTAZBGTMMSZED-UHFFFAOYSA-N
XLogP2.24
TPSA123.44 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.56
LogP ≤ 52.24
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

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Related Compounds

4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 6328341
2-(hydroxymethyl)-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol;oxalic acid
CID 12681857
1-[4-[[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 44537247
1-(4-methylphenoxy)-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 16812220
1-[4-(1-hydroxyethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 155667891
(2R)-1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 91927663
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
1-(3-bromo-4-fluorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 83231577
1-(4-chloro-3-ethylphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 43247705
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
1-(3-iodophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 14099143

Frequently Asked Questions

What is the IUPAC name of 2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol?
The IUPAC name of 2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol (CID 101042913) is 2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol.
What is the SMILES notation for 2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol?
The canonical SMILES for 2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol is CC(C)NCC(O)COc1ccc(O)c(-c2cc(OCC(O)CNC(C)C)ccc2O)c1.
What is the InChIKey of 2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol?
The InChIKey is ZCTAZBGTMMSZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H36N2O6/c1-15(2)25-11-17(27)13-31-19-5-7-23(29)21(9-19)22-10-20(6-8-24(22)30)32-14-18(28)12-26-16(3)4/h5-10,15-18,25-30H,11-14H2,1-4H3.
What are the key properties of 2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol?
2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol has a molecular weight of 448.56 g/mol, XLogP of 2.24, 13 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol is sourced from PubChem (CID 101042913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).