(1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran

C18H17BrO2 — CID 102193389

IUPAC(1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran
SMILESBrc1ccccc1[C@@H]1OCC[C@H]1[C@H]1OCc2ccccc21
InChIInChI=1S/C18H17BrO2/c19-16-8-4-3-7-14(16)18-15(9-10-20-18)17-13-6-2-1-5-12(13)11-21-17/h1-8,15,17-18H,9-11H2/t15-,17-,18-/m0/s1
InChIKeyWYIPFHFGUGBSRQ-SZMVWBNQSA-N
MW345.24 g/mol
LogP4.80
Rot. Bonds2

About (1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran

(1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran (PubChem CID 102193389) has the molecular formula C18H17BrO2 and a molecular weight of 345.24 g/mol. Its IUPAC name is (1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran.

Molecular Properties

Compound Name(1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran
PubChem CID102193389
Molecular FormulaC18H17BrO2
Molecular Weight345.24 g/mol
Exact Mass344.04
IUPAC Name(1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran
SMILESBrc1ccccc1[C@@H]1OCC[C@H]1[C@H]1OCc2ccccc21
InChIInChI=1S/C18H17BrO2/c19-16-8-4-3-7-14(16)18-15(9-10-20-18)17-13-6-2-1-5-12(13)11-21-17/h1-8,15,17-18H,9-11H2/t15-,17-,18-/m0/s1
InChIKeyWYIPFHFGUGBSRQ-SZMVWBNQSA-N
XLogP4.80
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.24
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-[(2S,3S)-2-(4-nitrophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran
CID 102193376
(1S)-1-[(2S,3S)-2-(3-methoxyphenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran
CID 102193382
(1R,4aS,10S,10aS)-1-(2-bromophenyl)-10-phenyl-3,4,4a,5,10,10a-hexahydro-1H-benzo[g]isochromene
CID 132517956
(1S,4aR,8R,8aR)-1-(2-bromophenyl)-8-phenyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyran;(1R,4aS,8S,8aS)-1-(2-bromophenyl)-8-phenyl-1,3,4,4a,5,6,8,8a-octahydropyrano[3,4-c]pyran
CID 139191716
(2S)-2-(2-bromophenyl)oxirane
CID 30071402
N-[[2-(2-bromophenyl)oxolan-3-yl]methyl]-2-methoxyethanamine
CID 79365257
(3R,4R)-3,4-diphenyl-3,4-dihydro-1H-isochromene
CID 11119699
(3aS,4R,9bS)-4-(4-bromophenyl)-2,3,3a,4,5,9b-hexahydrofuro[3,2-c]quinoline
CID 154717769
2-(2-bromophenyl)-5-methyl-1,4-oxazepane
CID 83188100
1,3-dihydro-2-benzofuran-1-yl(trimethyl)silane
CID 85354149
3,4-dimethyl-3,4-dihydro-1H-isochromene
CID 12794873
methyl 3-(2-bromophenyl)-1,4-dioxane-2-carboxylate
CID 133061492

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran?
The IUPAC name of (1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran (CID 102193389) is (1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran.
What is the SMILES notation for (1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran?
The canonical SMILES for (1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran is Brc1ccccc1[C@@H]1OCC[C@H]1[C@H]1OCc2ccccc21.
What is the InChIKey of (1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran?
The InChIKey is WYIPFHFGUGBSRQ-SZMVWBNQSA-N. The full InChI is InChI=1S/C18H17BrO2/c19-16-8-4-3-7-14(16)18-15(9-10-20-18)17-13-6-2-1-5-12(13)11-21-17/h1-8,15,17-18H,9-11H2/t15-,17-,18-/m0/s1.
What are the key properties of (1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran?
(1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran has a molecular weight of 345.24 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2R,3S)-2-(2-bromophenyl)oxolan-3-yl]-1,3-dihydro-2-benzofuran is sourced from PubChem (CID 102193389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).