1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol

C16H22O2 — CID 134894646

IUPAC1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol
SMILESCC1(C)O[C@]1(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C16H22O2/c1-14(2)16(18-14,13-9-5-3-6-10-13)15(17)11-7-4-8-12-15/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3/t16-/m0/s1
InChIKeyWYHYJLDVOLKSOI-INIZCTEOSA-N
MW246.35 g/mol
LogP3.39
Rot. Bonds2

About 1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol

1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol (PubChem CID 134894646) has the molecular formula C16H22O2 and a molecular weight of 246.35 g/mol. Its IUPAC name is 1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol
PubChem CID134894646
Molecular FormulaC16H22O2
Molecular Weight246.35 g/mol
Exact Mass246.16
IUPAC Name1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol
SMILESCC1(C)O[C@]1(c1ccccc1)C1(O)CCCCC1
InChIInChI=1S/C16H22O2/c1-14(2)16(18-14,13-9-5-3-6-10-13)15(17)11-7-4-8-12-15/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3/t16-/m0/s1
InChIKeyWYHYJLDVOLKSOI-INIZCTEOSA-N
XLogP3.39
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R,3R)-3-methyl-2-phenyloxiran-2-yl]cycloheptan-1-ol
CID 12012987
ethane;1-phenylcyclohexan-1-ol
CID 144640846
copper;1-phenylcyclohexan-1-ol
CID 174727157
trans-(1R,2R)-1-methyl-2-phenylcyclohexane-1,2-diol
CID 101349551
trans-(1R,2R)-1,2-diphenylcyclohexane-1,2-diol
CID 15915235
ethane;methanol;(1-phenylcyclohexyl)benzene
CID 91580542
methane;(1-methylcyclopentyl)benzene
CID 143499824
1-phenylcyclohexane-1-thiol
CID 19348891
1,1-diphenylcyclotetradecane
CID 175822005
2-(dimethylamino)-2-methyl-1-phenylcyclohexan-1-ol
CID 66606780
2,2-dimethyl-3-phenyloxetan-3-ol
CID 121217401
2-phenylpiperidin-2-ol
CID 173102945

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol?
The IUPAC name of 1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol (CID 134894646) is 1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol.
What is the SMILES notation for 1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol?
The canonical SMILES for 1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol is CC1(C)O[C@]1(c1ccccc1)C1(O)CCCCC1.
What is the InChIKey of 1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol?
The InChIKey is WYHYJLDVOLKSOI-INIZCTEOSA-N. The full InChI is InChI=1S/C16H22O2/c1-14(2)16(18-14,13-9-5-3-6-10-13)15(17)11-7-4-8-12-15/h3,5-6,9-10,17H,4,7-8,11-12H2,1-2H3/t16-/m0/s1.
What are the key properties of 1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol?
1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-3,3-dimethyl-2-phenyloxiran-2-yl]cyclohexan-1-ol is sourced from PubChem (CID 134894646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).