(2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran

C21H17BrO2 — CID 164609320

IUPAC(2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran
SMILESCOc1ccc2c(c1)[C@@H](c1ccc(Br)cc1)[C@H](c1ccccc1)O2
InChIInChI=1S/C21H17BrO2/c1-23-17-11-12-19-18(13-17)20(14-7-9-16(22)10-8-14)21(24-19)15-5-3-2-4-6-15/h2-13,20-21H,1H3/t20-,21+/m1/s1
InChIKeyHYMHWZRJSIKFEW-RTWAWAEBSA-N
MW381.27 g/mol
LogP5.72
Rot. Bonds3

About (2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran

(2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran (PubChem CID 164609320) has the molecular formula C21H17BrO2 and a molecular weight of 381.27 g/mol. Its IUPAC name is (2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran.

Molecular Properties

Compound Name(2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran
PubChem CID164609320
Molecular FormulaC21H17BrO2
Molecular Weight381.27 g/mol
Exact Mass380.04
IUPAC Name(2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran
SMILESCOc1ccc2c(c1)[C@@H](c1ccc(Br)cc1)[C@H](c1ccccc1)O2
InChIInChI=1S/C21H17BrO2/c1-23-17-11-12-19-18(13-17)20(14-7-9-16(22)10-8-14)21(24-19)15-5-3-2-4-6-15/h2-13,20-21H,1H3/t20-,21+/m1/s1
InChIKeyHYMHWZRJSIKFEW-RTWAWAEBSA-N
XLogP5.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.27
LogP ≤ 55.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Benzene, 1-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-3-(4-methoxyphenoxy)-
CID 3067146
Benzene, 1-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-3-phenoxy-
CID 3067209
Benzene, 4-((2-(4-bromophenyl)-2-methylpropoxy)methyl)-1-fluoro-2-phenoxy-
CID 3068482
3-(4-bromophenyl)-3-methoxy-2-phenyl-2H-1-benzofuran
CID 164611249
(2R,3R)-5-methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran
CID 164616887
(2S,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran
CID 164618468
5-Methoxy-2,3-diphenyl-2,3-dihydro-1-benzofuran
CID 164629163
(2R)-5-methoxy-2-(4-methoxyphenyl)-2,3-dihydro-1-benzofuran
CID 15741494
(5aR,11aR,12S)-5a-(4-bromophenyl)-12-[(E)-2-(4-bromophenyl)ethenyl]-2,9-dimethoxy-11a,12-dihydro-11H-chromeno[2,3-b]chromene
CID 57396904
(2S,3S)-5-bromo-2-(4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran
CID 71568462
6-(4-bromophenyl)-9-methoxy-6H-benzo[c]chromene
CID 162654197
(2S,3S)-5-bromo-2-(3-bromo-4-methoxyphenyl)-3-methyl-2,3-dihydro-1-benzofuran
CID 162668754

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran?
The IUPAC name of (2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran (CID 164609320) is (2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran.
What is the SMILES notation for (2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran?
The canonical SMILES for (2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran is COc1ccc2c(c1)[C@@H](c1ccc(Br)cc1)[C@H](c1ccccc1)O2.
What is the InChIKey of (2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran?
The InChIKey is HYMHWZRJSIKFEW-RTWAWAEBSA-N. The full InChI is InChI=1S/C21H17BrO2/c1-23-17-11-12-19-18(13-17)20(14-7-9-16(22)10-8-14)21(24-19)15-5-3-2-4-6-15/h2-13,20-21H,1H3/t20-,21+/m1/s1.
What are the key properties of (2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran?
(2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran has a molecular weight of 381.27 g/mol, XLogP of 5.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-3-(4-bromophenyl)-5-methoxy-2-phenyl-2,3-dihydro-1-benzofuran is sourced from PubChem (CID 164609320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).