(2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran

C17H18O — CID 11806703

IUPAC(2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran
SMILESCC[C@@H]1c2ccccc2O[C@H]1Cc1ccccc1
InChIInChI=1S/C17H18O/c1-2-14-15-10-6-7-11-16(15)18-17(14)12-13-8-4-3-5-9-13/h3-11,14,17H,2,12H2,1H3/t14-,17+/m1/s1
InChIKeyXDXGUDGJJHDDKR-PBHICJAKSA-N
MW238.33 g/mol
LogP4.18
Rot. Bonds3

About (2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran

(2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran (PubChem CID 11806703) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is (2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran
PubChem CID11806703
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name(2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran
SMILESCC[C@@H]1c2ccccc2O[C@H]1Cc1ccccc1
InChIInChI=1S/C17H18O/c1-2-14-15-10-6-7-11-16(15)18-17(14)12-13-8-4-3-5-9-13/h3-11,14,17H,2,12H2,1H3/t14-,17+/m1/s1
InChIKeyXDXGUDGJJHDDKR-PBHICJAKSA-N
XLogP4.18
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-ethyl-4-hydroxy-3,4-dihydro-2H-chromen-3-yl)propanoic acid
CID 19098614
3-benzyl-3H-1,2-benzodioxole
CID 19926660
2-benzyl-5-ethyloxolane
CID 134971012
dibenzyl-(7-oxabicyclo[4.2.0]octa-1,3,5-trien-8-yl)-propylazanium
CID 174642026
3-benzyl-2,3-dihydro-1-benzofuran
CID 11356275
(4S,5S)-4-benzyl-5-ethyl-1,3-oxazolidin-2-one
CID 14023295
4-benzyl-3-ethylazetidin-2-one
CID 85185683
(2S,3S,4S)-3-[(4-chlorophenyl)methyl]-2-phenyl-3,4-dihydro-2H-chromen-4-ol
CID 15427638
2-[(2R,3R)-2-phenyl-2,3-dihydro-1-benzofuran-3-yl]acetic acid
CID 14250425
(3S,4R)-3-amino-4-benzyloxetan-2-one
CID 10058065
4-ethyl-4H-chromene
CID 91024719
(2S,3R)-2-(2-hydroxypropan-2-yl)-2,3-dihydro-1-benzofuran-3-ol
CID 134958179

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran?
The IUPAC name of (2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran (CID 11806703) is (2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran is CC[C@@H]1c2ccccc2O[C@H]1Cc1ccccc1.
What is the InChIKey of (2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran?
The InChIKey is XDXGUDGJJHDDKR-PBHICJAKSA-N. The full InChI is InChI=1S/C17H18O/c1-2-14-15-10-6-7-11-16(15)18-17(14)12-13-8-4-3-5-9-13/h3-11,14,17H,2,12H2,1H3/t14-,17+/m1/s1.
What are the key properties of (2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran?
(2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran has a molecular weight of 238.33 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-2-benzyl-3-ethyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 11806703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).