methyl (2R)-2-(4-methylphenyl)-2-phenylacetate

C16H16O2 — CID 54311643

IUPACmethyl (2R)-2-(4-methylphenyl)-2-phenylacetate
SMILESCOC(=O)[C@H](c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H16O2/c1-12-8-10-14(11-9-12)15(16(17)18-2)13-6-4-3-5-7-13/h3-11,15H,1-2H3/t15-/m1/s1
InChIKeySLHUVOQYDHUKNY-OAHLLOKOSA-N
MW240.30 g/mol
LogP3.30
Rot. Bonds3

About methyl (2R)-2-(4-methylphenyl)-2-phenylacetate

methyl (2R)-2-(4-methylphenyl)-2-phenylacetate (PubChem CID 54311643) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl (2R)-2-(4-methylphenyl)-2-phenylacetate.

Molecular Properties

Compound Namemethyl (2R)-2-(4-methylphenyl)-2-phenylacetate
PubChem CID54311643
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namemethyl (2R)-2-(4-methylphenyl)-2-phenylacetate
SMILESCOC(=O)[C@H](c1ccccc1)c1ccc(C)cc1
InChIInChI=1S/C16H16O2/c1-12-8-10-14(11-9-12)15(16(17)18-2)13-6-4-3-5-7-13/h3-11,15H,1-2H3/t15-/m1/s1
InChIKeySLHUVOQYDHUKNY-OAHLLOKOSA-N
XLogP3.30
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

tert-butyl 2-(4-methylphenyl)-2-phenylacetate
CID 142375777
[2-(4-methylphenyl)-2-oxo-1-phenylethyl] 2,2-diphenylacetate
CID 2926355
methyl 3-(4-methylanilino)-2-phenylpropanoate
CID 64567482
dimethyl 2-phenylpropanedioate;ethane
CID 91499304
dimethyl 2-[1-(4-methylphenyl)ethyl]propanedioate
CID 141073428
methyl (2S)-2-benzylsulfanyl-2-(4-methylphenyl)acetate
CID 139042093
methyl 2-(4-methylbenzenecarbothioyl)sulfanyl-2-phenylacetate
CID 59378638
ethyl N-[(4-methylphenyl)-phenylmethyl]carbamate
CID 50917501
dimethyl (2S,3R)-2-bromo-3-(4-methylphenyl)butanedioate
CID 92860865
methyl (2R)-2-hydroxy-2-(4-phenylphenyl)acetate
CID 54430210
methyl 2-phenyl-2-propan-2-yloxyacetate
CID 75094315
[(S)-(4-methylphenyl)-phenylmethyl] acetate
CID 40534934

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-(4-methylphenyl)-2-phenylacetate?
The IUPAC name of methyl (2R)-2-(4-methylphenyl)-2-phenylacetate (CID 54311643) is methyl (2R)-2-(4-methylphenyl)-2-phenylacetate.
What is the SMILES notation for methyl (2R)-2-(4-methylphenyl)-2-phenylacetate?
The canonical SMILES for methyl (2R)-2-(4-methylphenyl)-2-phenylacetate is COC(=O)[C@H](c1ccccc1)c1ccc(C)cc1.
What is the InChIKey of methyl (2R)-2-(4-methylphenyl)-2-phenylacetate?
The InChIKey is SLHUVOQYDHUKNY-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H16O2/c1-12-8-10-14(11-9-12)15(16(17)18-2)13-6-4-3-5-7-13/h3-11,15H,1-2H3/t15-/m1/s1.
What are the key properties of methyl (2R)-2-(4-methylphenyl)-2-phenylacetate?
methyl (2R)-2-(4-methylphenyl)-2-phenylacetate has a molecular weight of 240.30 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-(4-methylphenyl)-2-phenylacetate is sourced from PubChem (CID 54311643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).