(2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran

C15H20O2 — CID 10944319

IUPAC(2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
SMILESCOc1ccc([C@H]2C[C@H]3CCCC[C@H]3O2)cc1
InChIInChI=1S/C15H20O2/c1-16-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)17-15/h6-9,12,14-15H,2-5,10H2,1H3/t12-,14-,15-/m1/s1
InChIKeyZHIYLCTZZFMELI-BPLDGKMQSA-N
MW232.32 g/mol
LogP3.72
Rot. Bonds2

About (2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran

(2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran (PubChem CID 10944319) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran.

Molecular Properties

Compound Name(2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
PubChem CID10944319
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
SMILESCOc1ccc([C@H]2C[C@H]3CCCC[C@H]3O2)cc1
InChIInChI=1S/C15H20O2/c1-16-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)17-15/h6-9,12,14-15H,2-5,10H2,1H3/t12-,14-,15-/m1/s1
InChIKeyZHIYLCTZZFMELI-BPLDGKMQSA-N
XLogP3.72
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran with MolForge

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Related Compounds

(2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane
CID 11207019
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
2-methoxy-6-(4-methoxyphenyl)oxane
CID 68556423
(2S,5R)-2-(4-fluorophenyl)-5-(4-methoxyphenyl)oxolane
CID 11807821
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
(2R,4aS,8aR)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
CID 134961607
(2R,4R,4aR,7R,8aR)-4-fluoro-2-(4-methoxyphenyl)-4,7-dimethyl-2,3,4a,5,6,7,8,8a-octahydrochromene
CID 154574107
(3S,4S,6R)-6-(4-methoxyphenyl)oxane-3,4-diol
CID 100945532
1-(2-chlorocyclopropyl)-4-methoxybenzene
CID 53421606
(4R,6R)-2-(4-methoxyphenyl)-4,6-dimethyl-1,3-dioxane
CID 25233008
(5S)-5-(4-methoxyphenyl)oxolan-2-one
CID 12862881
(4R,4aS,9aS)-4-(4-methoxyphenyl)-3-methyl-2-oxido-4,4a,5,6,7,8,9,9a-octahydrocyclohepta[e]oxazin-2-ium
CID 10379420

Frequently Asked Questions

What is the IUPAC name of (2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran?
The IUPAC name of (2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran (CID 10944319) is (2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran.
What is the SMILES notation for (2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran?
The canonical SMILES for (2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran is COc1ccc([C@H]2C[C@H]3CCCC[C@H]3O2)cc1.
What is the InChIKey of (2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran?
The InChIKey is ZHIYLCTZZFMELI-BPLDGKMQSA-N. The full InChI is InChI=1S/C15H20O2/c1-16-13-8-6-11(7-9-13)15-10-12-4-2-3-5-14(12)17-15/h6-9,12,14-15H,2-5,10H2,1H3/t12-,14-,15-/m1/s1.
What are the key properties of (2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran?
(2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran has a molecular weight of 232.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran is sourced from PubChem (CID 10944319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).