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

C14H17O2- — CID 6931336

IUPAC(2R)-2-cyclohexyl-2-phenylacetate
SMILESO=C([O-])[C@@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H18O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16)/p-1/t13-/m0/s1
InChIKeyAAJLPPDFIRPBDA-ZDUSSCGKSA-M
MW217.29 g/mol
LogP2.10
Rot. Bonds3

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

(2R)-2-cyclohexyl-2-phenylacetate (PubChem CID 6931336) has the molecular formula C14H17O2- and a molecular weight of 217.29 g/mol. Its IUPAC name is (2R)-2-cyclohexyl-2-phenylacetate.

Molecular Properties

Compound Name(2R)-2-cyclohexyl-2-phenylacetate
PubChem CID6931336
Molecular FormulaC14H17O2-
Molecular Weight217.29 g/mol
Exact Mass217.12
IUPAC Name(2R)-2-cyclohexyl-2-phenylacetate
SMILESO=C([O-])[C@@H](c1ccccc1)C1CCCCC1
InChIInChI=1S/C14H18O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16)/p-1/t13-/m0/s1
InChIKeyAAJLPPDFIRPBDA-ZDUSSCGKSA-M
XLogP2.10
TPSA40.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.29
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-2-phenylacetate;diethyl-(2-hydroxyethyl)-methylazanium;hydroiodide
CID 23618028
1-cyclopentyl-3,3-dimethyl-1-phenylbutan-2-one
CID 118698010
2-cyclohexyl-2-phenylethanethioamide
CID 82082945
2-cyclopentyl-N,2-diphenylacetamide
CID 2794045
2-cyclopropyl-2-phenyl-1-pyrrolidin-1-ylethanone
CID 110406993
4-[4-[(R)-carboxylato(phenyl)methyl]piperidin-1-yl]sulfonylbenzoate
CID 2123695
2,2,2-trichloroethyl 2-cyclohexyl-2-phenylacetate
CID 132507393
(2R)-N-(cyanomethyl)-2-cyclohexyl-2-phenylacetamide
CID 125465712
1-[(2S)-2-cyclopentyl-2-phenylacetyl]-4-hydroxypiperidine-4-carboxylic acid
CID 95543173
2-cyclopentyl-2-phenylacetic acid;2-(2-hydroxyethoxy)ethanol
CID 175204467
(R)-cycloheptyl(phenyl)methanol
CID 94502427
2-cyclohexyl-2-(2-hydroxyphenyl)acetic acid
CID 22178850

Frequently Asked Questions

What is the IUPAC name of (2R)-2-cyclohexyl-2-phenylacetate?
The IUPAC name of (2R)-2-cyclohexyl-2-phenylacetate (CID 6931336) is (2R)-2-cyclohexyl-2-phenylacetate.
What is the SMILES notation for (2R)-2-cyclohexyl-2-phenylacetate?
The canonical SMILES for (2R)-2-cyclohexyl-2-phenylacetate is O=C([O-])[C@@H](c1ccccc1)C1CCCCC1.
What is the InChIKey of (2R)-2-cyclohexyl-2-phenylacetate?
The InChIKey is AAJLPPDFIRPBDA-ZDUSSCGKSA-M. The full InChI is InChI=1S/C14H18O2/c15-14(16)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1,3-4,7-8,12-13H,2,5-6,9-10H2,(H,15,16)/p-1/t13-/m0/s1.
What are the key properties of (2R)-2-cyclohexyl-2-phenylacetate?
(2R)-2-cyclohexyl-2-phenylacetate has a molecular weight of 217.29 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-cyclohexyl-2-phenylacetate is sourced from PubChem (CID 6931336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).