(2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol

C16H24O3 — CID 154715612

IUPAC(2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol
SMILESCCCCCCCC[C@@H]1c2cc(O)ccc2O[C@H]1O
InChIInChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-13-14-11-12(17)9-10-15(14)19-16(13)18/h9-11,13,16-18H,2-8H2,1H3/t13-,16-/m1/s1
InChIKeyOQAROYYELVWVRS-CZUORRHYSA-N
MW264.36 g/mol
LogP3.94
Rot. Bonds7

About (2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol

(2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol (PubChem CID 154715612) has the molecular formula C16H24O3 and a molecular weight of 264.36 g/mol. Its IUPAC name is (2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol.

Molecular Properties

Compound Name(2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol
PubChem CID154715612
Molecular FormulaC16H24O3
Molecular Weight264.36 g/mol
Exact Mass264.17
IUPAC Name(2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol
SMILESCCCCCCCC[C@@H]1c2cc(O)ccc2O[C@H]1O
InChIInChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-13-14-11-12(17)9-10-15(14)19-16(13)18/h9-11,13,16-18H,2-8H2,1H3/t13-,16-/m1/s1
InChIKeyOQAROYYELVWVRS-CZUORRHYSA-N
XLogP3.94
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2R,3R)-3-hexyl-2,3-dihydrobenzo[g][1]benzofuran-2,5-diol
CID 102325892
2-morpholin-4-yl-3-propyl-2,3-dihydro-1-benzofuran-5-ol
CID 141416785
(4S)-6-fluoro-2-heptyl-3,4-dihydro-2H-chromen-4-ol
CID 104948110
1-hexyl-1,2,3,4-tetrahydroisoquinolin-7-ol
CID 106778410
(4R)-2-heptyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 104950983
2-hexyl-6-methoxy-3,4-dihydro-2H-chromen-4-ol
CID 114715401
(2S,3R,4S)-2-(4-hydroxy-2-methylphenyl)-4-methyl-3-propyl-3,4-dihydro-2H-chromen-6-ol
CID 71195531
6-fluoro-2-pentyl-3,4-dihydro-2H-chromen-4-ol
CID 114714011
2-tridecylbenzene-1,4-diol
CID 19033717
4-(4-butyl-6-hydroxy-3,4-dihydro-2H-chromen-2-yl)benzamide;prop-1-en-2-amine
CID 142244963
CID 70568956
CID 70568956
sodium 2-dodecylbenzene-1,4-diol
CID 23460783

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol?
The IUPAC name of (2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol (CID 154715612) is (2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol.
What is the SMILES notation for (2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol?
The canonical SMILES for (2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol is CCCCCCCC[C@@H]1c2cc(O)ccc2O[C@H]1O.
What is the InChIKey of (2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol?
The InChIKey is OQAROYYELVWVRS-CZUORRHYSA-N. The full InChI is InChI=1S/C16H24O3/c1-2-3-4-5-6-7-8-13-14-11-12(17)9-10-15(14)19-16(13)18/h9-11,13,16-18H,2-8H2,1H3/t13-,16-/m1/s1.
What are the key properties of (2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol?
(2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol has a molecular weight of 264.36 g/mol, XLogP of 3.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-octyl-2,3-dihydro-1-benzofuran-2,5-diol is sourced from PubChem (CID 154715612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).