cis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one

C18H24O — CID 135023929

IUPACcis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one
SMILESCC[C@]1(c2ccccc2)C(=O)C[C@@H]1C1CCCCC1
InChIInChI=1S/C18H24O/c1-2-18(15-11-7-4-8-12-15)16(13-17(18)19)14-9-5-3-6-10-14/h4,7-8,11-12,14,16H,2-3,5-6,9-10,13H2,1H3/t16-,18-/m1/s1
InChIKeyUETADAJICRZACA-SJLPKXTDSA-N
MW256.39 g/mol
LogP4.50
Rot. Bonds3

About cis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one

cis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one (PubChem CID 135023929) has the molecular formula C18H24O and a molecular weight of 256.39 g/mol. Its IUPAC name is cis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one.

Molecular Properties

Compound Namecis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one
PubChem CID135023929
Molecular FormulaC18H24O
Molecular Weight256.39 g/mol
Exact Mass256.18
IUPAC Namecis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one
SMILESCC[C@]1(c2ccccc2)C(=O)C[C@@H]1C1CCCCC1
InChIInChI=1S/C18H24O/c1-2-18(15-11-7-4-8-12-15)16(13-17(18)19)14-9-5-3-6-10-14/h4,7-8,11-12,14,16H,2-3,5-6,9-10,13H2,1H3/t16-,18-/m1/s1
InChIKeyUETADAJICRZACA-SJLPKXTDSA-N
XLogP4.50
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of cis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one?
The IUPAC name of cis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one (CID 135023929) is cis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one.
What is the SMILES notation for cis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one?
The canonical SMILES for cis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one is CC[C@]1(c2ccccc2)C(=O)C[C@@H]1C1CCCCC1.
What is the InChIKey of cis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one?
The InChIKey is UETADAJICRZACA-SJLPKXTDSA-N. The full InChI is InChI=1S/C18H24O/c1-2-18(15-11-7-4-8-12-15)16(13-17(18)19)14-9-5-3-6-10-14/h4,7-8,11-12,14,16H,2-3,5-6,9-10,13H2,1H3/t16-,18-/m1/s1.
What are the key properties of cis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one?
cis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one has a molecular weight of 256.39 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(2S,3R)-3-cyclohexyl-2-ethyl-2-phenylcyclobutan-1-one is sourced from PubChem (CID 135023929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).