(2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane

C15H20O2 — CID 11207019

IUPAC(2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane
SMILESCOc1ccc([C@H]2O[C@@H]2C2CCCCC2)cc1
InChIInChI=1S/C15H20O2/c1-16-13-9-7-12(8-10-13)15-14(17-15)11-5-3-2-4-6-11/h7-11,14-15H,2-6H2,1H3/t14-,15-/m1/s1
InChIKeyJHIJYBXWWLYNOL-HUUCEWRRSA-N
MW232.32 g/mol
LogP3.72
Rot. Bonds3

About (2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane

(2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane (PubChem CID 11207019) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane.

Molecular Properties

Compound Name(2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane
PubChem CID11207019
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane
SMILESCOc1ccc([C@H]2O[C@@H]2C2CCCCC2)cc1
InChIInChI=1S/C15H20O2/c1-16-13-9-7-12(8-10-13)15-14(17-15)11-5-3-2-4-6-11/h7-11,14-15H,2-6H2,1H3/t14-,15-/m1/s1
InChIKeyJHIJYBXWWLYNOL-HUUCEWRRSA-N
XLogP3.72
TPSA21.76 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(2R,3aR,7aR)-2-(4-methoxyphenyl)-2,3,3a,4,5,6,7,7a-octahydro-1-benzofuran
CID 10944319
[(2S,3R)-3-cyclohexyloxiran-2-yl]-(4-methoxyphenyl)methanone
CID 87794859
1-methoxy-4-[2-(4-methoxyphenyl)cyclohexyl]benzene
CID 101244821
2,5-bis(4-methoxyphenyl)-3,4-dimethyloxolane
CID 14681590
bromomethane;1-cyclopentyl-4-methoxybenzene
CID 160663013
(2S,3S)-2-(4-chlorophenyl)-3-(4-methoxyphenyl)oxirane
CID 101333877
2-(4-methoxyphenyl)cycloheptane-1-carbonitrile
CID 82242717
1-cyclohexyl-4-(4-methoxyphenyl)benzene;ethene
CID 144983864
(2R,3R)-2-bromo-3-(4-methoxyphenyl)-1,4-dioxane
CID 162408429
2-(4-methoxyphenyl)oxolane-3-carbaldehyde
CID 2763136
1-cyclohexylsulfanyl-4-methoxybenzene
CID 13011159
9-(4-methoxyphenyl)-2,3,4,4a,5,6,7,8,8a,9,9a,10a-dodecahydro-1H-thioxanthene
CID 15123211

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane?
The IUPAC name of (2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane (CID 11207019) is (2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane.
What is the SMILES notation for (2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane?
The canonical SMILES for (2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane is COc1ccc([C@H]2O[C@@H]2C2CCCCC2)cc1.
What is the InChIKey of (2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane?
The InChIKey is JHIJYBXWWLYNOL-HUUCEWRRSA-N. The full InChI is InChI=1S/C15H20O2/c1-16-13-9-7-12(8-10-13)15-14(17-15)11-5-3-2-4-6-11/h7-11,14-15H,2-6H2,1H3/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane?
(2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane has a molecular weight of 232.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane is sourced from PubChem (CID 11207019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).