(1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane

C20H22O2 — CID 101444494

IUPAC(1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane
SMILESCO[C@H](c1ccccc1)[C@@]12C[C@@H]1CO[C@]2(C)c1ccccc1
InChIInChI=1S/C20H22O2/c1-19(16-11-7-4-8-12-16)20(13-17(20)14-22-19)18(21-2)15-9-5-3-6-10-15/h3-12,17-18H,13-14H2,1-2H3/t17-,18-,19-,20-/m1/s1
InChIKeySLMGIAHPEWKNQK-UAFMIMERSA-N
MW294.39 g/mol
LogP4.33
Rot. Bonds4

About (1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane

(1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane (PubChem CID 101444494) has the molecular formula C20H22O2 and a molecular weight of 294.39 g/mol. Its IUPAC name is (1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane
PubChem CID101444494
Molecular FormulaC20H22O2
Molecular Weight294.39 g/mol
Exact Mass294.16
IUPAC Name(1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane
SMILESCO[C@H](c1ccccc1)[C@@]12C[C@@H]1CO[C@]2(C)c1ccccc1
InChIInChI=1S/C20H22O2/c1-19(16-11-7-4-8-12-16)20(13-17(20)14-22-19)18(21-2)15-9-5-3-6-10-15/h3-12,17-18H,13-14H2,1-2H3/t17-,18-,19-,20-/m1/s1
InChIKeySLMGIAHPEWKNQK-UAFMIMERSA-N
XLogP4.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane with MolForge

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Related Compounds

(1R,2R,5S)-2-(4-methoxyphenyl)-2-methyl-1-[(S)-(4-methylphenyl)-(2-phenylethoxy)methyl]-3-oxabicyclo[3.1.0]hexane
CID 101444513
trimethyl-[(Z)-2-[(1S)-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexan-1-yl]ethenyl]silane
CID 101272906
(2S,3S)-2-[methoxy(phenyl)methyl]-2-phenylpiperidin-3-amine
CID 141035791
[[1-(bromomethyl)cyclopropyl]-methoxymethyl]benzene
CID 22636892
2,3,5,6-tetramethyl-2,3-diphenyl-1,4-dioxane
CID 154019435
(1S,6R)-4-methyl-4-phenyl-3,7-dioxabicyclo[4.1.0]heptane
CID 10774046
(2S)-2-methyl-2-phenyloxirane
CID 11629614
(4-ethyl-2-phenyl-1,3-dioxolan-2-yl)-phenylmethanol
CID 59444461
2-phenyl-4-propan-2-yloxyoxolane-2-carboxylic acid
CID 18467923
5-methoxy-2,2-dimethyl-5-phenyl-1,3-dioxane
CID 15341678
O-[(2-methyl-2-phenyl-1,3-dioxolan-4-yl)methyl]hydroxylamine
CID 10465682
(2R,5R)-2,5-dimethyl-2,5-diphenyl-1,4-dioxane
CID 1203325

Frequently Asked Questions

What is the IUPAC name of (1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane?
The IUPAC name of (1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane (CID 101444494) is (1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane.
What is the SMILES notation for (1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane?
The canonical SMILES for (1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane is CO[C@H](c1ccccc1)[C@@]12C[C@@H]1CO[C@]2(C)c1ccccc1.
What is the InChIKey of (1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane?
The InChIKey is SLMGIAHPEWKNQK-UAFMIMERSA-N. The full InChI is InChI=1S/C20H22O2/c1-19(16-11-7-4-8-12-16)20(13-17(20)14-22-19)18(21-2)15-9-5-3-6-10-15/h3-12,17-18H,13-14H2,1-2H3/t17-,18-,19-,20-/m1/s1.
What are the key properties of (1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane?
(1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane has a molecular weight of 294.39 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,5S)-1-[(R)-methoxy(phenyl)methyl]-2-methyl-2-phenyl-3-oxabicyclo[3.1.0]hexane is sourced from PubChem (CID 101444494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).