ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate

C16H22O3 — CID 68952925

IUPACethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
SMILESCCOC(=O)C(O)(c1ccc(C)cc1)C1CCCC1
InChIInChI=1S/C16H22O3/c1-3-19-15(17)16(18,13-6-4-5-7-13)14-10-8-12(2)9-11-14/h8-11,13,18H,3-7H2,1-2H3
InChIKeyILKVLMBLTPBKEI-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.94
Rot. Bonds4

About ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate

ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate (PubChem CID 68952925) has the molecular formula C16H22O3 and a molecular weight of 262.35 g/mol. Its IUPAC name is ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
PubChem CID68952925
Molecular FormulaC16H22O3
Molecular Weight262.35 g/mol
Exact Mass262.16
IUPAC Nameethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
SMILESCCOC(=O)C(O)(c1ccc(C)cc1)C1CCCC1
InChIInChI=1S/C16H22O3/c1-3-19-15(17)16(18,13-6-4-5-7-13)14-10-8-12(2)9-11-14/h8-11,13,18H,3-7H2,1-2H3
InChIKeyILKVLMBLTPBKEI-UHFFFAOYSA-N
XLogP2.94
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

diethyl 2-cyclohexyl-2-methoxypropanedioate
CID 67553135
but-2-ynyl 2-cyclohexyl-2-[4-(diethylamino)phenyl]-2-hydroxyacetate
CID 175476357
2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 70868092
but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 20689589
3-[(2R)-2-cyclohexyl-2-hydroxy-2-phenylacetyl]oxypropyl-triethylazanium
CID 7377908
ethyl (2R)-2-cyclohexyl-2-hydroxypropanoate
CID 97047914
ethyl 2,2-dichloro-2-(4-methylphenyl)acetate
CID 54230467
(3-benzyl-3-azabicyclo[3.2.1]octan-8-yl) 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate
CID 11532129
3-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxypropyl-diethyl-methylazanium
CID 3096350
4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 4634
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
ethyl 3-cyclohexyl-3-hydroxy-3-phenylpropanoate
CID 12565684

Frequently Asked Questions

What is the IUPAC name of ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate?
The IUPAC name of ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate (CID 68952925) is ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate?
The canonical SMILES for ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate is CCOC(=O)C(O)(c1ccc(C)cc1)C1CCCC1.
What is the InChIKey of ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate?
The InChIKey is ILKVLMBLTPBKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O3/c1-3-19-15(17)16(18,13-6-4-5-7-13)14-10-8-12(2)9-11-14/h8-11,13,18H,3-7H2,1-2H3.
What are the key properties of ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate?
ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate has a molecular weight of 262.35 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-cyclopentyl-2-hydroxy-2-(4-methylphenyl)acetate is sourced from PubChem (CID 68952925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).