methyl (2R)-2-cyclohexyloxy-2-phenylacetate

C15H20O3 — CID 45114259

IUPACmethyl (2R)-2-cyclohexyloxy-2-phenylacetate
SMILESCOC(=O)[C@H](OC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H20O3/c1-17-15(16)14(12-8-4-2-5-9-12)18-13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3/t14-/m1/s1
InChIKeyCFNQKMAEWOKEMN-CQSZACIVSA-N
MW248.32 g/mol
LogP3.25
Rot. Bonds4

About methyl (2R)-2-cyclohexyloxy-2-phenylacetate

methyl (2R)-2-cyclohexyloxy-2-phenylacetate (PubChem CID 45114259) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl (2R)-2-cyclohexyloxy-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-cyclohexyloxy-2-phenylacetate
PubChem CID45114259
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl (2R)-2-cyclohexyloxy-2-phenylacetate
SMILESCOC(=O)[C@H](OC1CCCCC1)c1ccccc1
InChIInChI=1S/C15H20O3/c1-17-15(16)14(12-8-4-2-5-9-12)18-13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3/t14-/m1/s1
InChIKeyCFNQKMAEWOKEMN-CQSZACIVSA-N
XLogP3.25
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclohexyloxy-2-phenylacetic acid
CID 43424351
methyl 2-cyclopropyloxy-2-(3-fluorophenyl)acetate
CID 170961786
(2S)-2-cyclopropyloxy-2-phenylacetic acid
CID 167014814
(2R)-N-(1-acetylpiperidin-4-yl)-2-cyclopentyloxy-2-phenylacetamide
CID 95304150
methyl 3-(cyclopentylamino)-2-phenylpropanoate
CID 64565196
(2R)-N-cyclohexyl-2-methoxy-2-phenylacetamide
CID 101462807
methyl 2-(cyclohexylamino)-2-phenylacetate
CID 3755192
(2S)-N-[2-(tert-butylamino)-2-oxoethyl]-2-cyclopentyloxy-2-phenylacetamide
CID 95601592
(2R)-2-cyclopentyloxy-N-[2-(dimethylamino)-2-oxoethyl]-N-methyl-2-phenylacetamide
CID 95601607
2-cyclopentyloxy-1-(4-hydroxypiperidin-1-yl)-2-phenylethanone
CID 110923625
(2R)-2-(2-cycloheptyloxypropanoylamino)-2-phenylacetic acid
CID 119367577
methyl 3-(cyclopentyloxyamino)-2-phenylpropanoate
CID 83235288

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-cyclohexyloxy-2-phenylacetate?
The IUPAC name of methyl (2R)-2-cyclohexyloxy-2-phenylacetate (CID 45114259) is methyl (2R)-2-cyclohexyloxy-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-cyclohexyloxy-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-cyclohexyloxy-2-phenylacetate is COC(=O)[C@H](OC1CCCCC1)c1ccccc1.
What is the InChIKey of methyl (2R)-2-cyclohexyloxy-2-phenylacetate?
The InChIKey is CFNQKMAEWOKEMN-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20O3/c1-17-15(16)14(12-8-4-2-5-9-12)18-13-10-6-3-7-11-13/h2,4-5,8-9,13-14H,3,6-7,10-11H2,1H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-cyclohexyloxy-2-phenylacetate?
methyl (2R)-2-cyclohexyloxy-2-phenylacetate has a molecular weight of 248.32 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-cyclohexyloxy-2-phenylacetate is sourced from PubChem (CID 45114259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).