5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran

C22H24O3 — CID 162843741

IUPAC5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran
SMILESC[C@H]1[C@H](C)[C@@H](c2ccc3c(c2)COC3)O[C@@H]1c1ccc2c(c1)COC2
InChIInChI=1S/C22H24O3/c1-13-14(2)22(16-4-6-18-10-24-12-20(18)8-16)25-21(13)15-3-5-17-9-23-11-19(17)7-15/h3-8,13-14,21-22H,9-12H2,1-2H3/t13-,14-,21-,22-/m0/s1
InChIKeyQLVTZLGYKYKHCT-WJWAULOUSA-N
MW336.43 g/mol
LogP4.83
Rot. Bonds2

About 5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran

5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran (PubChem CID 162843741) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is 5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran
PubChem CID162843741
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran
SMILESC[C@H]1[C@H](C)[C@@H](c2ccc3c(c2)COC3)O[C@@H]1c1ccc2c(c1)COC2
InChIInChI=1S/C22H24O3/c1-13-14(2)22(16-4-6-18-10-24-12-20(18)8-16)25-21(13)15-3-5-17-9-23-11-19(17)7-15/h3-8,13-14,21-22H,9-12H2,1-2H3/t13-,14-,21-,22-/m0/s1
InChIKeyQLVTZLGYKYKHCT-WJWAULOUSA-N
XLogP4.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran?
The IUPAC name of 5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran (CID 162843741) is 5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for 5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for 5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran is C[C@H]1[C@H](C)[C@@H](c2ccc3c(c2)COC3)O[C@@H]1c1ccc2c(c1)COC2.
What is the InChIKey of 5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran?
The InChIKey is QLVTZLGYKYKHCT-WJWAULOUSA-N. The full InChI is InChI=1S/C22H24O3/c1-13-14(2)22(16-4-6-18-10-24-12-20(18)8-16)25-21(13)15-3-5-17-9-23-11-19(17)7-15/h3-8,13-14,21-22H,9-12H2,1-2H3/t13-,14-,21-,22-/m0/s1.
What are the key properties of 5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran?
5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran has a molecular weight of 336.43 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3S,4S,5S)-5-(1,3-dihydro-2-benzofuran-5-yl)-3,4-dimethyloxolan-2-yl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 162843741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).