8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol

C15H23NO5 — CID 10447333

IUPAC8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol
SMILESCC(C)NCC(O)COc1cccc2c1OCC(O)C2O
InChIInChI=1S/C15H23NO5/c1-9(2)16-6-10(17)7-20-13-5-3-4-11-14(19)12(18)8-21-15(11)13/h3-5,9-10,12,14,16-19H,6-8H2,1-2H3
InChIKeyMXSVAEJDFBARCA-UHFFFAOYSA-N
MW297.35 g/mol
LogP0.21
Rot. Bonds6

About 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol

8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol (PubChem CID 10447333) has the molecular formula C15H23NO5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol.

Molecular Properties

Compound Name8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol
PubChem CID10447333
Molecular FormulaC15H23NO5
Molecular Weight297.35 g/mol
Exact Mass297.16
IUPAC Name8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol
SMILESCC(C)NCC(O)COc1cccc2c1OCC(O)C2O
InChIInChI=1S/C15H23NO5/c1-9(2)16-6-10(17)7-20-13-5-3-4-11-14(19)12(18)8-21-15(11)13/h3-5,9-10,12,14,16-19H,6-8H2,1-2H3
InChIKeyMXSVAEJDFBARCA-UHFFFAOYSA-N
XLogP0.21
TPSA91.18 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 50.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

(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
1-(2,3-dichlorophenoxy)-3-(propan-2-ylamino)propan-2-ol
CID 13055703
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
1-(propan-2-ylamino)-3-[2-[(E)-prop-1-enyl]phenoxy]propan-2-ol
CID 11242136
sodium;hydride;1-naphthalen-1-yloxy-3-(propan-2-ylamino)propan-2-ol;hydrochloride
CID 173252787
(2S)-1-(3H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 76955833
(2R)-1-(1H-inden-4-yloxy)-3-(propan-2-ylamino)propan-2-ol
CID 656619
8-[3-(tert-butylamino)-2-hydroxypropoxy]-3,4-dihydro-2H-chromen-3-ol
CID 14839765
3-[2-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]-2H-furan-5-one
CID 14501069

Frequently Asked Questions

What is the IUPAC name of 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol?
The IUPAC name of 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol (CID 10447333) is 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol.
What is the SMILES notation for 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol?
The canonical SMILES for 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol is CC(C)NCC(O)COc1cccc2c1OCC(O)C2O.
What is the InChIKey of 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol?
The InChIKey is MXSVAEJDFBARCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO5/c1-9(2)16-6-10(17)7-20-13-5-3-4-11-14(19)12(18)8-21-15(11)13/h3-5,9-10,12,14,16-19H,6-8H2,1-2H3.
What are the key properties of 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol?
8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol has a molecular weight of 297.35 g/mol, XLogP of 0.21, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[2-hydroxy-3-(propan-2-ylamino)propoxy]-3,4-dihydro-2H-chromene-3,4-diol is sourced from PubChem (CID 10447333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).