cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one

C16H22O — CID 10537454

IUPACcis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one
SMILESC[C@@H]1CC[C@H](C(C)(C)c2ccccc2)C(=O)C1
InChIInChI=1S/C16H22O/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t12-,14+/m1/s1
InChIKeyYTGBBHOCDKGLED-OCCSQVGLSA-N
MW230.35 g/mol
LogP3.97
Rot. Bonds2

About cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one

cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one (PubChem CID 10537454) has the molecular formula C16H22O and a molecular weight of 230.35 g/mol. Its IUPAC name is cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Namecis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one
PubChem CID10537454
Molecular FormulaC16H22O
Molecular Weight230.35 g/mol
Exact Mass230.17
IUPAC Namecis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one
SMILESC[C@@H]1CC[C@H](C(C)(C)c2ccccc2)C(=O)C1
InChIInChI=1S/C16H22O/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t12-,14+/m1/s1
InChIKeyYTGBBHOCDKGLED-OCCSQVGLSA-N
XLogP3.97
TPSA17.07 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 ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one?
The IUPAC name of cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one (CID 10537454) is cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one.
What is the SMILES notation for cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one?
The canonical SMILES for cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one is C[C@@H]1CC[C@H](C(C)(C)c2ccccc2)C(=O)C1.
What is the InChIKey of cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one?
The InChIKey is YTGBBHOCDKGLED-OCCSQVGLSA-N. The full InChI is InChI=1S/C16H22O/c1-12-9-10-14(15(17)11-12)16(2,3)13-7-5-4-6-8-13/h4-8,12,14H,9-11H2,1-3H3/t12-,14+/m1/s1.
What are the key properties of cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one?
cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one has a molecular weight of 230.35 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2R,5R)-5-methyl-2-(2-phenylpropan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 10537454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).