4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol

C18H23NO3 — CID 3783

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IUPAC4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol
SMILESCC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
InChIInChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3
InChIKeyBMUKKTUHUDJSNZ-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.87
Rot. Bonds7

About 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol

4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol (PubChem CID 3783) has the molecular formula C18H23NO3 and a molecular weight of 301.39 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol
PubChem CID3783
Molecular FormulaC18H23NO3
Molecular Weight301.39 g/mol
Exact Mass301.17
IUPAC Name4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol
SMILESCC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1
InChIInChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3
InChIKeyBMUKKTUHUDJSNZ-UHFFFAOYSA-N
XLogP2.87
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol?
The IUPAC name of 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol (CID 3783) is 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol?
The canonical SMILES for 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol is CC(COc1ccccc1)NC(C)C(O)c1ccc(O)cc1.
What is the InChIKey of 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol?
The InChIKey is BMUKKTUHUDJSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23NO3/c1-13(12-22-17-6-4-3-5-7-17)19-14(2)18(21)15-8-10-16(20)11-9-15/h3-11,13-14,18-21H,12H2,1-2H3.
What are the key properties of 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol?
4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol has a molecular weight of 301.39 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-hydroxy-2-(1-phenoxypropan-2-ylamino)propyl]phenol is sourced from PubChem (CID 3783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).