3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol

C15H23NO3 — CID 71374364

IUPAC3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol
SMILESC=CCc1c(O)cccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H23NO3/c1-4-6-13-14(18)7-5-8-15(13)19-10-12(17)9-16-11(2)3/h4-5,7-8,11-12,16-18H,1,6,9-10H2,2-3H3
InChIKeyGWGPCYRUYVCQMS-UHFFFAOYSA-N
MW265.35 g/mol
LogP1.86
Rot. Bonds8

About 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol

3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol (PubChem CID 71374364) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol.

Molecular Properties

Compound Name3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol
PubChem CID71374364
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol
SMILESC=CCc1c(O)cccc1OCC(O)CNC(C)C
InChIInChI=1S/C15H23NO3/c1-4-6-13-14(18)7-5-8-15(13)19-10-12(17)9-16-11(2)3/h4-5,7-8,11-12,16-18H,1,6,9-10H2,2-3H3
InChIKeyGWGPCYRUYVCQMS-UHFFFAOYSA-N
XLogP1.86
TPSA61.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 51.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,3-dihydroxybutanedioic acid;1-(propan-2-ylamino)-3-(2-prop-2-enylphenoxy)propan-2-ol
CID 66615141
1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 11242136
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
4-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3-methyl-1H-indol-2-ol
CID 154090543
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
(2S)-1-(4-bromo-2-prop-2-enoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 125487722
2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 7372981

Frequently Asked Questions

What is the IUPAC name of 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol?
The IUPAC name of 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol (CID 71374364) is 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol.
What is the SMILES notation for 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol?
The canonical SMILES for 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol is C=CCc1c(O)cccc1OCC(O)CNC(C)C.
What is the InChIKey of 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol?
The InChIKey is GWGPCYRUYVCQMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-6-13-14(18)7-5-8-15(13)19-10-12(17)9-16-11(2)3/h4-5,7-8,11-12,16-18H,1,6,9-10H2,2-3H3.
What are the key properties of 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol?
3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol has a molecular weight of 265.35 g/mol, XLogP of 1.86, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]-2-prop-2-enylphenol is sourced from PubChem (CID 71374364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).