(3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran

C13H18O2 — CID 101412626

IUPAC(3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran
SMILESCCOC1O[C@H](C(C)C)c2ccccc21
InChIInChI=1S/C13H18O2/c1-4-14-13-11-8-6-5-7-10(11)12(15-13)9(2)3/h5-9,12-13H,4H2,1-3H3/t12-,13?/m1/s1
InChIKeyONHNHZHEDUGCAM-PZORYLMUSA-N
MW206.28 g/mol
LogP3.45
Rot. Bonds3

About (3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran

(3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran (PubChem CID 101412626) has the molecular formula C13H18O2 and a molecular weight of 206.28 g/mol. Its IUPAC name is (3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name(3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran
PubChem CID101412626
Molecular FormulaC13H18O2
Molecular Weight206.28 g/mol
Exact Mass206.13
IUPAC Name(3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran
SMILESCCOC1O[C@H](C(C)C)c2ccccc21
InChIInChI=1S/C13H18O2/c1-4-14-13-11-8-6-5-7-10(11)12(15-13)9(2)3/h5-9,12-13H,4H2,1-3H3/t12-,13?/m1/s1
InChIKeyONHNHZHEDUGCAM-PZORYLMUSA-N
XLogP3.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-methoxy-3-propoxy-1,3-dihydro-2-benzofuran
CID 163445562
2,4-di(propan-2-yl)-4H-1,3-benzodioxine
CID 12658555
2-ethoxy-3-fluoro-2,3-dihydro-1-benzofuran
CID 141453063
8-ethoxybicyclo[4.2.0]octa-1,3,5-trien-7-one
CID 130030444
(9R,10R)-9,10-di(propan-2-yl)-11-oxatricyclo[6.2.1.02,7]undeca-2,4,6-triene
CID 59070564
3-ethoxy-7-methyl-3H-2-benzofuran-1-one
CID 15187790
1-ethoxy-2,3-dihydro-1H-inden-2-ol
CID 12602279
(3S,4R)-4-ethoxy-2,2-dimethyl-3,4-dihydrochromen-3-ol
CID 177434477
3-hydroperoxy-4-pentan-3-yl-1-(2,2,2-trifluoroethoxy)-3,4-dihydro-1H-isochromene
CID 11724424
(3S)-3-propan-2-yl-3H-2-benzofuran-1-one
CID 102418556
1-ethoxy-3,3-dimethyl-1,2-dihydroindene
CID 135037785
10-ethoxy-10H-anthracen-9-one
CID 163685880

Frequently Asked Questions

What is the IUPAC name of (3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran?
The IUPAC name of (3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran (CID 101412626) is (3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran.
What is the SMILES notation for (3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran?
The canonical SMILES for (3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran is CCOC1O[C@H](C(C)C)c2ccccc21.
What is the InChIKey of (3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran?
The InChIKey is ONHNHZHEDUGCAM-PZORYLMUSA-N. The full InChI is InChI=1S/C13H18O2/c1-4-14-13-11-8-6-5-7-10(11)12(15-13)9(2)3/h5-9,12-13H,4H2,1-3H3/t12-,13?/m1/s1.
What are the key properties of (3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran?
(3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran has a molecular weight of 206.28 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-ethoxy-3-propan-2-yl-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 101412626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).