3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one

C16H21NO4 — CID 14501069

IUPAC3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one
SMILESCC(C)NCC(O)COc1ccccc1C1=CC(=O)OC1
InChIInChI=1S/C16H21NO4/c1-11(2)17-8-13(18)10-20-15-6-4-3-5-14(15)12-7-16(19)21-9-12/h3-7,11,13,17-18H,8-10H2,1-2H3
InChIKeyOKMGNRHTALHTJU-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.36
Rot. Bonds7

About 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one

3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one (PubChem CID 14501069) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one.

Molecular Properties

Compound Name3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one
PubChem CID14501069
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one
SMILESCC(C)NCC(O)COc1ccccc1C1=CC(=O)OC1
InChIInChI=1S/C16H21NO4/c1-11(2)17-8-13(18)10-20-15-6-4-3-5-14(15)12-7-16(19)21-9-12/h3-7,11,13,17-18H,8-10H2,1-2H3
InChIKeyOKMGNRHTALHTJU-UHFFFAOYSA-N
XLogP1.36
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]acetamide
CID 21397664
1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 11242136
(2S)-1-(2,3-dihydro-1,4-benzodioxin-5-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 7372981
1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
CID 23615940
1-(2-phenylmethoxyphenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13208810
ethanol;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol
CID 174932203
(2R)-1-phenoxy-3-(propan-2-ylamino)propan-2-ol
CID 843464
(2R)-1-[4-[(1R)-1-hydroxyethyl]naphthalen-1-yl]oxy-3-(propan-2-ylamino)propan-2-ol
CID 129395847
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]propanoic acid
CID 21253509
8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol
CID 10447333
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one?
The IUPAC name of 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one (CID 14501069) is 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one.
What is the SMILES notation for 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one?
The canonical SMILES for 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one is CC(C)NCC(O)COc1ccccc1C1=CC(=O)OC1.
What is the InChIKey of 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one?
The InChIKey is OKMGNRHTALHTJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-11(2)17-8-13(18)10-20-15-6-4-3-5-14(15)12-7-16(19)21-9-12/h3-7,11,13,17-18H,8-10H2,1-2H3.
What are the key properties of 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one?
3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one has a molecular weight of 291.35 g/mol, XLogP of 1.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one is sourced from PubChem (CID 14501069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).