(2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran

C21H18O2 — CID 164616887

IUPAC(2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran
SMILESCOc1ccc2c(c1)[C@@H](c1ccccc1)[C@H](c1ccccc1)O2
InChIInChI=1S/C21H18O2/c1-22-17-12-13-19-18(14-17)20(15-8-4-2-5-9-15)21(23-19)16-10-6-3-7-11-16/h2-14,20-21H,1H3/t20-,21+/m1/s1
InChIKeyYLEOYEHKNXPVJA-RTWAWAEBSA-N
MW302.37 g/mol
LogP4.96
Rot. Bonds3

About (2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran

(2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran (PubChem CID 164616887) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran
PubChem CID164616887
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name(2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran
SMILESCOc1ccc2c(c1)[C@@H](c1ccccc1)[C@H](c1ccccc1)O2
InChIInChI=1S/C21H18O2/c1-22-17-12-13-19-18(14-17)20(15-8-4-2-5-9-15)21(23-19)16-10-6-3-7-11-16/h2-14,20-21H,1H3/t20-,21+/m1/s1
InChIKeyYLEOYEHKNXPVJA-RTWAWAEBSA-N
XLogP4.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran?
The IUPAC name of (2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran (CID 164616887) is (2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran is COc1ccc2c(c1)[C@@H](c1ccccc1)[C@H](c1ccccc1)O2.
What is the InChIKey of (2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran?
The InChIKey is YLEOYEHKNXPVJA-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H18O2/c1-22-17-12-13-19-18(14-17)20(15-8-4-2-5-9-15)21(23-19)16-10-6-3-7-11-16/h2-14,20-21H,1H3/t20-,21+/m1/s1.
What are the key properties of (2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran?
(2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran has a molecular weight of 302.37 g/mol, XLogP of 4.96, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 164616887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).