cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate

C21H24O3 — CID 7191546

IUPACcyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OCC1CCCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O3/c22-20(24-16-17-10-4-1-5-11-17)21(23,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,23H,1,4-5,10-11,16H2
InChIKeyVDRIHFRTVPYNAS-UHFFFAOYSA-N
MW324.42 g/mol
LogP4.05
Rot. Bonds5

About cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate

cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate (PubChem CID 7191546) has the molecular formula C21H24O3 and a molecular weight of 324.42 g/mol. Its IUPAC name is cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate.

Molecular Properties

Compound Namecyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
PubChem CID7191546
Molecular FormulaC21H24O3
Molecular Weight324.42 g/mol
Exact Mass324.17
IUPAC Namecyclohexylmethyl 2-hydroxy-2,2-diphenylacetate
SMILESO=C(OCC1CCCCC1)C(O)(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H24O3/c22-20(24-16-17-10-4-1-5-11-17)21(23,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,23H,1,4-5,10-11,16H2
InChIKeyVDRIHFRTVPYNAS-UHFFFAOYSA-N
XLogP4.05
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Cyclandelate
CID 2893
Benactyzine
CID 9330
Chlorobenzilate
CID 10522
Chloropropylate
CID 22094
Oxybutynin
CID 4634
Oxybutynin Hydrochloride
CID 91505
Benzilic acid
CID 6463
Bromopropylate
CID 28936
Oxyphenonium
CID 5749
Benactyzine Hydrochloride
CID 66448
Esoxybutynin
CID 206530
Ethyl mandelate
CID 13050

Frequently Asked Questions

What is the IUPAC name of cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate?
The IUPAC name of cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate (CID 7191546) is cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate.
What is the SMILES notation for cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate?
The canonical SMILES for cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate is O=C(OCC1CCCCC1)C(O)(c1ccccc1)c1ccccc1.
What is the InChIKey of cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate?
The InChIKey is VDRIHFRTVPYNAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24O3/c22-20(24-16-17-10-4-1-5-11-17)21(23,18-12-6-2-7-13-18)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,23H,1,4-5,10-11,16H2.
What are the key properties of cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate?
cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate has a molecular weight of 324.42 g/mol, XLogP of 4.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexylmethyl 2-hydroxy-2,2-diphenylacetate is sourced from PubChem (CID 7191546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).