(1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran

C17H18O3 — CID 11471215

IUPAC(1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran
SMILESCO[C@@H]1O[C@@H](COCc2ccccc2)c2ccccc21
InChIInChI=1S/C17H18O3/c1-18-17-15-10-6-5-9-14(15)16(20-17)12-19-11-13-7-3-2-4-8-13/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1
InChIKeyLVGHIJHGHGMVFT-DLBZAZTESA-N
MW270.33 g/mol
LogP3.62
Rot. Bonds5

About (1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran

(1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran (PubChem CID 11471215) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is (1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name(1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran
PubChem CID11471215
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Name(1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran
SMILESCO[C@@H]1O[C@@H](COCc2ccccc2)c2ccccc21
InChIInChI=1S/C17H18O3/c1-18-17-15-10-6-5-9-14(15)16(20-17)12-19-11-13-7-3-2-4-8-13/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1
InChIKeyLVGHIJHGHGMVFT-DLBZAZTESA-N
XLogP3.62
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1R,3S)-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran-1-yl]oxy]propyl acetate
CID 101012842
(2R,3R,5S)-5-methoxy-2-(phenylmethoxymethyl)oxolan-3-ol
CID 10977493
(2R,3S,4S,5R)-2-methoxy-5-(phenylmethoxymethyl)oxolane-3,4-diol
CID 11139675
2-methoxy-3-methylidene-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolane
CID 154734225
(3R)-2-ethyl-3-(phenylmethoxymethyl)oxirane
CID 165104713
(2S,3R,4S,5R,6R)-3,4-dimethoxy-6-(phenylmethoxymethyl)oxane-2,5-diol
CID 22979812
(1S,2R,3S,4R)-2,3-bis(phenylmethoxymethyl)-5-oxabicyclo[2.1.0]pentane
CID 11056009
(2R,3R,4S,5R,6S)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 14374475
(2R,3S,4S,5R,6R)-4,5,6-trimethoxy-2-(phenylmethoxymethyl)oxan-3-ol
CID 10828905
(3R,4R,5S)-2-methoxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-ol
CID 11267933
(2S,3R,4S,5R,6R)-4-methoxy-3,5-bis(phenylmethoxy)-6-(phenylmethoxymethyl)oxan-2-ol
CID 70185855
(3S,5S)-2-methoxy-3-methyl-5-(phenylmethoxymethyl)oxolane
CID 71070891

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran?
The IUPAC name of (1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran (CID 11471215) is (1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran.
What is the SMILES notation for (1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran?
The canonical SMILES for (1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran is CO[C@@H]1O[C@@H](COCc2ccccc2)c2ccccc21.
What is the InChIKey of (1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran?
The InChIKey is LVGHIJHGHGMVFT-DLBZAZTESA-N. The full InChI is InChI=1S/C17H18O3/c1-18-17-15-10-6-5-9-14(15)16(20-17)12-19-11-13-7-3-2-4-8-13/h2-10,16-17H,11-12H2,1H3/t16-,17+/m0/s1.
What are the key properties of (1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran?
(1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran has a molecular weight of 270.33 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-methoxy-3-(phenylmethoxymethyl)-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 11471215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).