(1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol

C15H20O2 — CID 12983176

IUPAC(1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol
SMILESC[C@@H]1CC[C@]2([C@](C)(O)c3ccccc3)O[C@@H]2C1
InChIInChI=1S/C15H20O2/c1-11-8-9-15(13(10-11)17-15)14(2,16)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3/t11-,13-,14-,15+/m1/s1
InChIKeyFBWKRAQVRWDENO-NGFQHRJXSA-N
MW232.32 g/mol
LogP2.85
Rot. Bonds2

About (1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol

(1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol (PubChem CID 12983176) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is (1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol.

Molecular Properties

Compound Name(1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol
PubChem CID12983176
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name(1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol
SMILESC[C@@H]1CC[C@]2([C@](C)(O)c3ccccc3)O[C@@H]2C1
InChIInChI=1S/C15H20O2/c1-11-8-9-15(13(10-11)17-15)14(2,16)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3/t11-,13-,14-,15+/m1/s1
InChIKeyFBWKRAQVRWDENO-NGFQHRJXSA-N
XLogP2.85
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol with MolForge

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Related Compounds

(1R)-1-(1-adamantyl)-1-phenylethanol
CID 7116226
(1S,2R,5S)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 12860618
[(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexyl] (2R)-6-tert-butyl-1-oxaspiro[2.5]octane-2-carboxylate
CID 101099377
(1R,2S,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol;hydrate
CID 174940939
(1R)-1-(furan-2-yl)-1-[(1R,6S)-7-oxabicyclo[4.1.0]heptan-1-yl]ethanol
CID 14958099
2-[(1R,2R,4R)-2,4-dimethylcyclohexyl]propan-2-ylbenzene
CID 134964067
2-(2,5-dimethylcyclohexyl)propan-2-ylbenzene
CID 154060563
2-(2,4-dimethylcyclohexyl)propan-2-ylbenzene
CID 134857032
chloroform;5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-ol
CID 70236087
[1-(hydroxymethyl)-4-methyl-2-phenylcyclohexyl]methanol
CID 139793925
(1S,2R,4R)-2,4-dimethyl-1-phenylcyclohexan-1-ol
CID 124508976
N-(2-phenylpropan-2-yl)adamantan-1-amine
CID 102026641

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol?
The IUPAC name of (1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol (CID 12983176) is (1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol.
What is the SMILES notation for (1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol?
The canonical SMILES for (1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol is C[C@@H]1CC[C@]2([C@](C)(O)c3ccccc3)O[C@@H]2C1.
What is the InChIKey of (1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol?
The InChIKey is FBWKRAQVRWDENO-NGFQHRJXSA-N. The full InChI is InChI=1S/C15H20O2/c1-11-8-9-15(13(10-11)17-15)14(2,16)12-6-4-3-5-7-12/h3-7,11,13,16H,8-10H2,1-2H3/t11-,13-,14-,15+/m1/s1.
What are the key properties of (1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol?
(1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol has a molecular weight of 232.32 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(1S,4R,6R)-4-methyl-7-oxabicyclo[4.1.0]heptan-1-yl]-1-phenylethanol is sourced from PubChem (CID 12983176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).