1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol

C18H25NO3 — CID 6455803

IUPAC1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol
SMILESCC(O)CNCC(C)O.Oc1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.C6H15NO2/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(8)3-7-4-6(2)9/h1-9,13H;5-9H,3-4H2,1-2H3
InChIKeyOUVCOUYWPMZGCR-UHFFFAOYSA-N
MW303.40 g/mol
LogP2.40
Rot. Bonds5

About 1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol

1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol (PubChem CID 6455803) has the molecular formula C18H25NO3 and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol.

Molecular Properties

Compound Name1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol
PubChem CID6455803
Molecular FormulaC18H25NO3
Molecular Weight303.40 g/mol
Exact Mass303.18
IUPAC Name1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol
SMILESCC(O)CNCC(C)O.Oc1ccccc1-c1ccccc1
InChIInChI=1S/C12H10O.C6H15NO2/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(8)3-7-4-6(2)9/h1-9,13H;5-9H,3-4H2,1-2H3
InChIKeyOUVCOUYWPMZGCR-UHFFFAOYSA-N
XLogP2.40
TPSA72.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol?
The IUPAC name of 1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol (CID 6455803) is 1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol.
What is the SMILES notation for 1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol?
The canonical SMILES for 1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol is CC(O)CNCC(C)O.Oc1ccccc1-c1ccccc1.
What is the InChIKey of 1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol?
The InChIKey is OUVCOUYWPMZGCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10O.C6H15NO2/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10;1-5(8)3-7-4-6(2)9/h1-9,13H;5-9H,3-4H2,1-2H3.
What are the key properties of 1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol?
1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol has a molecular weight of 303.40 g/mol, XLogP of 2.40, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypropylamino)propan-2-ol;2-phenylphenol is sourced from PubChem (CID 6455803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).