2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

C16H22O4 — CID 70868092

IUPAC2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
SMILESO=C(OCCO)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22O4/c17-11-12-20-15(18)16(19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14,17,19H,2,5-6,9-12H2
InChIKeyZCWWGSVEJFZYNX-UHFFFAOYSA-N
MW278.35 g/mol
LogP1.99
Rot. Bonds5

About 2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate

2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate (PubChem CID 70868092) has the molecular formula C16H22O4 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
PubChem CID70868092
Molecular FormulaC16H22O4
Molecular Weight278.35 g/mol
Exact Mass278.15
IUPAC Name2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
SMILESO=C(OCCO)C(O)(c1ccccc1)C1CCCCC1
InChIInChI=1S/C16H22O4/c17-11-12-20-15(18)16(19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14,17,19H,2,5-6,9-12H2
InChIKeyZCWWGSVEJFZYNX-UHFFFAOYSA-N
XLogP1.99
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2R)-2-cyclohexyl-2-hydroxy-2-phenylacetyl]oxypropyl-triethylazanium
CID 7377908
but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 20689589
3-(2-cyclohexyl-2-hydroxy-2-phenylacetyl)oxypropyl-diethyl-methylazanium
CID 3096350
[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]methyl 2-cyclopentyl-2-hydroxy-2-phenylacetate
CID 11551423
4-(dimethylamino)but-2-ynyl (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 15516893
methyl (2R)-2-cyclobutyl-2-hydroxy-2-phenylacetate
CID 14710070
[(2S)-1,1-dimethylpyrrolidin-1-ium-2-yl]methyl (2S)-2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 76956725
4-methylsulfonyloxybut-2-ynyl (2R)-2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 59397490
4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate;ethanol
CID 22348527
4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 4634
methyl 2-cyclopropyl-2-hydroxy-2-phenylacetate
CID 23323992
azane;4-(diethylamino)but-2-ynyl 2-cyclohexyl-2-hydroxy-2-phenylacetate
CID 69112346

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate?
The IUPAC name of 2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate (CID 70868092) is 2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate.
What is the SMILES notation for 2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate?
The canonical SMILES for 2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate is O=C(OCCO)C(O)(c1ccccc1)C1CCCCC1.
What is the InChIKey of 2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate?
The InChIKey is ZCWWGSVEJFZYNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O4/c17-11-12-20-15(18)16(19,13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1,3-4,7-8,14,17,19H,2,5-6,9-12H2.
What are the key properties of 2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate?
2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate has a molecular weight of 278.35 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-cyclohexyl-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 70868092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).