cyclohexyl 2-hydroxy-2,2-diphenylacetate

C20H22O3 — CID 66524160

IUPACcyclohexyl 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OC1CCCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O3/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/h1-2,4-7,10-13,18,22H,3,8-9,14-15H2
InChIKeyPZUJJLRBEAOVLL-UHFFFAOYSA-N
MW310.39 g/mol
LogP3.80
Rot. Bonds4

About cyclohexyl 2-hydroxy-2,2-diphenylacetate

cyclohexyl 2-hydroxy-2,2-diphenylacetate (PubChem CID 66524160) has the molecular formula C20H22O3 and a molecular weight of 310.39 g/mol. Its IUPAC name is cyclohexyl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Namecyclohexyl 2-hydroxy-2,2-diphenylacetate
PubChem CID66524160
Molecular FormulaC20H22O3
Molecular Weight310.39 g/mol
Exact Mass310.16
IUPAC Namecyclohexyl 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OC1CCCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C20H22O3/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/h1-2,4-7,10-13,18,22H,3,8-9,14-15H2
InChIKeyPZUJJLRBEAOVLL-UHFFFAOYSA-N
XLogP3.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze cyclohexyl 2-hydroxy-2,2-diphenylacetate 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 cyclohexyl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of cyclohexyl 2-hydroxy-2,2-diphenylacetate (CID 66524160) is cyclohexyl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for cyclohexyl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for cyclohexyl 2-hydroxy-2,2-diphenylacetate is O=C(OC1CCCCC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohexyl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is PZUJJLRBEAOVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22O3/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/h1-2,4-7,10-13,18,22H,3,8-9,14-15H2.
What are the key properties of cyclohexyl 2-hydroxy-2,2-diphenylacetate?
cyclohexyl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 310.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 66524160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).