(2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane

C16H22O — CID 100996137

IUPAC(2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane
SMILESC[C@@H]1[C@@H](c2ccccc2)O[C@@H]1C1CCCCC1
InChIInChI=1S/C16H22O/c1-12-15(13-8-4-2-5-9-13)17-16(12)14-10-6-3-7-11-14/h2,4-5,8-9,12,14-16H,3,6-7,10-11H2,1H3/t12-,15+,16+/m1/s1
InChIKeyZZSIZECDUYLQPS-KCXAZCMYSA-N
MW230.35 g/mol
LogP4.34
Rot. Bonds2

About (2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane

(2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane (PubChem CID 100996137) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is (2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane.

Molecular Properties

Compound Name(2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane
PubChem CID100996137
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Name(2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane
SMILESC[C@@H]1[C@@H](c2ccccc2)O[C@@H]1C1CCCCC1
InChIInChI=1S/C16H22O/c1-12-15(13-8-4-2-5-9-13)17-16(12)14-10-6-3-7-11-14/h2,4-5,8-9,12,14-16H,3,6-7,10-11H2,1H3/t12-,15+,16+/m1/s1
InChIKeyZZSIZECDUYLQPS-KCXAZCMYSA-N
XLogP4.34
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane with MolForge

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Related Compounds

(1S,2R,5S,6R)-2-cyclohexyl-5-phenyl-3,4,7-trioxabicyclo[4.1.0]heptane
CID 11265436
(2R,3R)-2-cyclohexyl-3-(4-methoxyphenyl)oxirane
CID 11207019
(2R,3S)-2-phenyl-3-[(2S,3R)-3-phenyloxiran-2-yl]oxirane
CID 134931681
3-methyl-2-phenyl-2,3,5,6,7,8,9,9a-octahydro-[1,3]oxazolo[3,2-a]azepine
CID 135070526
[(1S,2S,3R)-2-cyclohexyl-3-methylcyclopropyl]-phenylmethanone
CID 131860529
1,2,3,4,5,5a,6,7,8,9,10,10a-dodecahydroheptalene;biphenylene
CID 161014557
(2R,3S)-2-methyl-3-phenyloxirane
CID 6452030
(2R)-2-methyl-3-phenyloxirane
CID 12040001
(5R,6S)-3-cyclohexyl-5-methyl-6-phenylmorpholin-2-one
CID 102533542
(2S,4S,5R,6S)-2,4,5-trimethyl-6-phenyl-1,3-dioxane
CID 132539210
(3aR,9aR)-2-phenyl-3a,4,5,6,7,8,9,9a-octahydrocycloocta[d][1,3]dioxole
CID 102238187
4-cyclohexyl-3-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 142507215

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane?
The IUPAC name of (2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane (CID 100996137) is (2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane.
What is the SMILES notation for (2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane?
The canonical SMILES for (2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane is C[C@@H]1[C@@H](c2ccccc2)O[C@@H]1C1CCCCC1.
What is the InChIKey of (2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane?
The InChIKey is ZZSIZECDUYLQPS-KCXAZCMYSA-N. The full InChI is InChI=1S/C16H22O/c1-12-15(13-8-4-2-5-9-13)17-16(12)14-10-6-3-7-11-14/h2,4-5,8-9,12,14-16H,3,6-7,10-11H2,1H3/t12-,15+,16+/m1/s1.
What are the key properties of (2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane?
(2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane has a molecular weight of 230.35 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4S)-2-cyclohexyl-3-methyl-4-phenyloxetane is sourced from PubChem (CID 100996137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).