methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate

C17H18O3 — CID 62214661

IUPACmethyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
SMILESCOC(=O)C(O)(c1ccccc1)c1ccc(C)cc1C
InChIInChI=1S/C17H18O3/c1-12-9-10-15(13(2)11-12)17(19,16(18)20-3)14-7-5-4-6-8-14/h4-11,19H,1-3H3
InChIKeyBLGXUWJJLMBDKZ-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.71
Rot. Bonds3

About methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate

methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate (PubChem CID 62214661) has the molecular formula C17H18O3 and a molecular weight of 270.33 g/mol. Its IUPAC name is methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
PubChem CID62214661
Molecular FormulaC17H18O3
Molecular Weight270.33 g/mol
Exact Mass270.13
IUPAC Namemethyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
SMILESCOC(=O)C(O)(c1ccccc1)c1ccc(C)cc1C
InChIInChI=1S/C17H18O3/c1-12-9-10-15(13(2)11-12)17(19,16(18)20-3)14-7-5-4-6-8-14/h4-11,19H,1-3H3
InChIKeyBLGXUWJJLMBDKZ-UHFFFAOYSA-N
XLogP2.71
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate
CID 105464025
[(3R)-1-ethylpyrrolidin-3-yl] (2R)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 97355671
[(3S)-1-ethylpyrrolidin-3-yl] (2S)-2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 129374493
(1-ethylpyrrolidin-3-yl) 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate;hydrochloride
CID 117067160
methyl 2-hydroxy-2,2-bis(4-methylphenyl)acetate
CID 22574226
methyl 2-(4-methylphenyl)-2-phenyl-2-sulfanylacetate
CID 87833882
methyl (2R)-2-hydroxy-2-(3-methylphenyl)propanoate
CID 56926601
methyl 2-(2-methylphenyl)-2,2-diphenylacetate
CID 620898
2-(2-bromoanilino)-2-(2,4-dimethylphenyl)propanoic acid
CID 60992830
1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene
CID 170152443
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
1-(2,4-dimethylphenyl)-1-phenyl-2-(propan-2-ylamino)ethanol
CID 62774556

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate?
The IUPAC name of methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate (CID 62214661) is methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate.
What is the SMILES notation for methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate?
The canonical SMILES for methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate is COC(=O)C(O)(c1ccccc1)c1ccc(C)cc1C.
What is the InChIKey of methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate?
The InChIKey is BLGXUWJJLMBDKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O3/c1-12-9-10-15(13(2)11-12)17(19,16(18)20-3)14-7-5-4-6-8-14/h4-11,19H,1-3H3.
What are the key properties of methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate?
methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate has a molecular weight of 270.33 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate is sourced from PubChem (CID 62214661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).