(2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran

C21H18O2 — CID 164615588

IUPAC(2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran
SMILESCO[C@@]1(c2ccccc2)c2ccccc2O[C@H]1c1ccccc1
InChIInChI=1S/C21H18O2/c1-22-21(17-12-6-3-7-13-17)18-14-8-9-15-19(18)23-20(21)16-10-4-2-5-11-16/h2-15,20H,1H3/t20-,21-/m0/s1
InChIKeyDNPPJGUDHWHBDH-SFTDATJTSA-N
MW302.37 g/mol
LogP4.71
Rot. Bonds3

About (2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran

(2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran (PubChem CID 164615588) has the molecular formula C21H18O2 and a molecular weight of 302.37 g/mol. Its IUPAC name is (2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran.

Molecular Properties

Compound Name(2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran
PubChem CID164615588
Molecular FormulaC21H18O2
Molecular Weight302.37 g/mol
Exact Mass302.13
IUPAC Name(2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran
SMILESCO[C@@]1(c2ccccc2)c2ccccc2O[C@H]1c1ccccc1
InChIInChI=1S/C21H18O2/c1-22-21(17-12-6-3-7-13-17)18-14-8-9-15-19(18)23-20(21)16-10-4-2-5-11-16/h2-15,20H,1H3/t20-,21-/m0/s1
InChIKeyDNPPJGUDHWHBDH-SFTDATJTSA-N
XLogP4.71
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 ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(((1,1'-Biphenyl)-2-yloxy)methyl)oxirane
CID 97875
2-Biphenylyl phenyl ether
CID 81220
2,2',2''-(Methanetriyltris(benzene-4,1-diyloxymethanediyl))trioxirane
CID 4320947
Oxirane, 2-((4-(1-methyl-1-phenylethyl)phenoxy)methyl)-
CID 62186
1-(Benzyloxy)-2-(2-phenylethyl)benzene
CID 11973811
2-Propanol, 1,3-bis(o-tolyloxy)-
CID 96701
4,4'-Diethoxybiphenyl
CID 617993
2,2',2''-(Methylidynetris(phenyleneoxymethylene))tris(oxirane)
CID 3034480
Magreth-19
CID 54592215
1-(Benzyloxy)-2-[2-(3-methoxyphenyl)ethyl]benzene
CID 11973927
1,2-Propanediol, 3-(2-biphenylyloxy)-
CID 120660
1-(2-Benzylphenoxy)propan-2-ol
CID 107365

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran?
The IUPAC name of (2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran (CID 164615588) is (2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran.
What is the SMILES notation for (2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran?
The canonical SMILES for (2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran is CO[C@@]1(c2ccccc2)c2ccccc2O[C@H]1c1ccccc1.
What is the InChIKey of (2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran?
The InChIKey is DNPPJGUDHWHBDH-SFTDATJTSA-N. The full InChI is InChI=1S/C21H18O2/c1-22-21(17-12-6-3-7-13-17)18-14-8-9-15-19(18)23-20(21)16-10-4-2-5-11-16/h2-15,20H,1H3/t20-,21-/m0/s1.
What are the key properties of (2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran?
(2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran has a molecular weight of 302.37 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-3-methoxy-2,3-diphenyl-2H-1-benzofuran is sourced from PubChem (CID 164615588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).