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

C12H19NO3 — CID 6328341

IUPAC4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
SMILESCC(C)NC[C@@H](O)COc1ccc(O)cc1
InChIInChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyADUKCCWBEDSMEB-LLVKDONJSA-N
MW225.29 g/mol
LogP1.13
Rot. Bonds6

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

4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol (PubChem CID 6328341) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol.

Molecular Properties

Compound Name4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
PubChem CID6328341
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
SMILESCC(C)NC[C@@H](O)COc1ccc(O)cc1
InChIInChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m1/s1
InChIKeyADUKCCWBEDSMEB-LLVKDONJSA-N
XLogP1.13
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[2-hydroxy-5-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenol
CID 101042913
(2S)-1-[4-(hydroxymethyl)phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 93481255
1-(4-bromophenoxy)-3-(propan-2-ylamino)propan-2-ol chloride
CID 46863817
1-(4-aminophenoxy)-3-(propan-2-ylamino)propan-2-ol;ethanol
CID 70528605
4-[(2S)-3-(1,1,1,2,3,3,3-heptadeuteriopropan-2-ylamino)-2-hydroxypropoxy]phenol
CID 162640517
1-(propan-2-ylamino)-3-[4-(3-propan-2-yloxypropoxy)phenoxy]propan-2-ol
CID 177126524
(2R)-1-[4-[(1R)-1-hydroxy-2-methoxyethyl]phenoxy]-3-(propan-2-ylamino)propan-2-ol
CID 12760476

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol?
The IUPAC name of 4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol (CID 6328341) is 4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol.
What is the SMILES notation for 4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol?
The canonical SMILES for 4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol is CC(C)NC[C@@H](O)COc1ccc(O)cc1.
What is the InChIKey of 4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol?
The InChIKey is ADUKCCWBEDSMEB-LLVKDONJSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9(2)13-7-11(15)8-16-12-5-3-10(14)4-6-12/h3-6,9,11,13-15H,7-8H2,1-2H3/t11-/m1/s1.
What are the key properties of 4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol?
4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol has a molecular weight of 225.29 g/mol, XLogP of 1.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-hydroxy-3-(propan-2-ylamino)propoxy]phenol is sourced from PubChem (CID 6328341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).