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

C15H25NO3 — CID 141426889

IUPAC4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol
SMILESCCCOCC(C)NC(C)C(O)c1ccc(O)cc1
InChIInChI=1S/C15H25NO3/c1-4-9-19-10-11(2)16-12(3)15(18)13-5-7-14(17)8-6-13/h5-8,11-12,15-18H,4,9-10H2,1-3H3
InChIKeyVNCUHBQDJXZFPR-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.22
Rot. Bonds8

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

4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol (PubChem CID 141426889) has the molecular formula C15H25NO3 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol.

Molecular Properties

Compound Name4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol
PubChem CID141426889
Molecular FormulaC15H25NO3
Molecular Weight267.37 g/mol
Exact Mass267.18
IUPAC Name4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol
SMILESCCCOCC(C)NC(C)C(O)c1ccc(O)cc1
InChIInChI=1S/C15H25NO3/c1-4-9-19-10-11(2)16-12(3)15(18)13-5-7-14(17)8-6-13/h5-8,11-12,15-18H,4,9-10H2,1-3H3
InChIKeyVNCUHBQDJXZFPR-UHFFFAOYSA-N
XLogP2.22
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol?
The IUPAC name of 4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol (CID 141426889) is 4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol.
What is the SMILES notation for 4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol?
The canonical SMILES for 4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol is CCCOCC(C)NC(C)C(O)c1ccc(O)cc1.
What is the InChIKey of 4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol?
The InChIKey is VNCUHBQDJXZFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO3/c1-4-9-19-10-11(2)16-12(3)15(18)13-5-7-14(17)8-6-13/h5-8,11-12,15-18H,4,9-10H2,1-3H3.
What are the key properties of 4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol?
4-[1-hydroxy-2-(1-propoxypropan-2-ylamino)propyl]phenol has a molecular weight of 267.37 g/mol, XLogP of 2.22, 8 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-propoxypropan-2-ylamino)propyl]phenol is sourced from PubChem (CID 141426889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).