cyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate

C20H28O3 — CID 141311335

IUPACcyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate
SMILESO=C(OC1CCCCC1)[C@](O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H28O3/c21-19(23-18-14-8-3-9-15-18)20(22,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1,4-5,10-11,17-18,22H,2-3,6-9,12-15H2/t20-/m0/s1
InChIKeySBCIQMPNBRTIMH-FQEVSTJZSA-N
MW316.44 g/mol
LogP4.33
Rot. Bonds4

About cyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate

cyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate (PubChem CID 141311335) has the molecular formula C20H28O3 and a molecular weight of 316.44 g/mol. Its IUPAC name is cyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Namecyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate
PubChem CID141311335
Molecular FormulaC20H28O3
Molecular Weight316.44 g/mol
Exact Mass316.20
IUPAC Namecyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate
SMILESO=C(OC1CCCCC1)[C@](O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C20H28O3/c21-19(23-18-14-8-3-9-15-18)20(22,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1,4-5,10-11,17-18,22H,2-3,6-9,12-15H2/t20-/m0/s1
InChIKeySBCIQMPNBRTIMH-FQEVSTJZSA-N
XLogP4.33
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate?
The IUPAC name of cyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate (CID 141311335) is cyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate.
What is the SMILES notation for cyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate?
The canonical SMILES for cyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate is O=C(OC1CCCCC1)[C@](O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of cyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate?
The InChIKey is SBCIQMPNBRTIMH-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H28O3/c21-19(23-18-14-8-3-9-15-18)20(22,16-10-4-1-5-11-16)17-12-6-2-7-13-17/h1,4-5,10-11,17-18,22H,2-3,6-9,12-15H2/t20-/m0/s1.
What are the key properties of cyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate?
cyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate has a molecular weight of 316.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 141311335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).