methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate

C15H20O3 — CID 125106455

IUPACmethyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate
SMILESCOC(=O)[C@@H](c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C15H20O3/c1-18-15(17)14(11-5-3-2-4-6-11)12-7-9-13(16)10-8-12/h7-11,14,16H,2-6H2,1H3/t14-/m1/s1
InChIKeyHFRLTYONCSQRDR-CQSZACIVSA-N
MW248.32 g/mol
LogP3.23
Rot. Bonds3

About methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate

methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate (PubChem CID 125106455) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate
PubChem CID125106455
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Namemethyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate
SMILESCOC(=O)[C@@H](c1ccc(O)cc1)C1CCCCC1
InChIInChI=1S/C15H20O3/c1-18-15(17)14(11-5-3-2-4-6-11)12-7-9-13(16)10-8-12/h7-11,14,16H,2-6H2,1H3/t14-/m1/s1
InChIKeyHFRLTYONCSQRDR-CQSZACIVSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl (2R)-2-(4-chlorophenyl)-2-cycloheptylacetate
CID 15317241
methyl (2R)-2-cyclopentyl-2-(4-fluorophenyl)acetate
CID 124640320
methyl 2-cyclopropyl-2-(4-fluorophenyl)acetate
CID 82077609
methyl 2-cyclopropyl-2-phenylacetate
CID 82075532
methyl (2S)-2-cyclopentyl-2-pyridin-3-ylacetate
CID 129395618
methyl 2-cyclohexyl-2-thiophen-2-ylacetate
CID 6453195
methyl 2-cyclohexyl-2-[[3-(4-hydroxyphenyl)-2-methylpropanoyl]amino]acetate
CID 91596177
methyl 2-[3-(bromomethyl)phenyl]-2-cyclopentylacetate
CID 21255098
2,2,2-trichloroethyl 2-cycloheptyl-2-(4-methoxyphenyl)acetate
CID 132507385
tert-butyl (2R)-2-cyclopentyl-2-(4-methylphenyl)acetate
CID 129363718
ethyl (2S)-2-(4-bromophenyl)-2-cyclopentylacetate
CID 124638237
methyl 3-cyclohexyl-2-[4-(quinolin-2-ylmethoxy)phenyl]propanoate;methyl 2-cyclopentyl-2-[4-(quinolin-2-ylmethoxy)phenyl]acetate
CID 161335113

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate?
The IUPAC name of methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate (CID 125106455) is methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate is COC(=O)[C@@H](c1ccc(O)cc1)C1CCCCC1.
What is the InChIKey of methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate?
The InChIKey is HFRLTYONCSQRDR-CQSZACIVSA-N. The full InChI is InChI=1S/C15H20O3/c1-18-15(17)14(11-5-3-2-4-6-11)12-7-9-13(16)10-8-12/h7-11,14,16H,2-6H2,1H3/t14-/m1/s1.
What are the key properties of methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate?
methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate has a molecular weight of 248.32 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-cyclohexyl-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 125106455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).