methyl 2-(2-methylphenyl)-2,2-diphenylacetate

C22H20O2 — CID 620898

IUPACmethyl 2-(2-methylphenyl)-2,2-diphenylacetate
SMILESCOC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1C
InChIInChI=1S/C22H20O2/c1-17-11-9-10-16-20(17)22(21(23)24-2,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-16H,1-2H3
InChIKeyWEUHKYUKMCDIFJ-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.50
Rot. Bonds4

About methyl 2-(2-methylphenyl)-2,2-diphenylacetate

methyl 2-(2-methylphenyl)-2,2-diphenylacetate (PubChem CID 620898) has the molecular formula C22H20O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is methyl 2-(2-methylphenyl)-2,2-diphenylacetate.

Molecular Properties

Compound Namemethyl 2-(2-methylphenyl)-2,2-diphenylacetate
PubChem CID620898
Molecular FormulaC22H20O2
Molecular Weight316.40 g/mol
Exact Mass316.15
IUPAC Namemethyl 2-(2-methylphenyl)-2,2-diphenylacetate
SMILESCOC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1C
InChIInChI=1S/C22H20O2/c1-17-11-9-10-16-20(17)22(21(23)24-2,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-16H,1-2H3
InChIKeyWEUHKYUKMCDIFJ-UHFFFAOYSA-N
XLogP4.50
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

2-(2-methylphenyl)-2,2-bis(4-methylphenyl)acetamide
CID 20684858
methyl 2,2-dibromo-2-phenylacetate
CID 59974916
methyl 2-amino-2,3-dimethyl-3-(2-methylphenyl)butanoate
CID 115040899
methyl 2-fluoro-2,2-diphenylacetate
CID 13222568
methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 62214661
N-methoxy-2,2,2-triphenylacetamide
CID 175153772
methyl 2-(4-methylphenyl)-2-phenyl-2-sulfanylacetate
CID 87833882
[bis(2-methylphenyl)-phenylmethyl] dihydrogen phosphate
CID 162514642
(2,2,2-triphenylacetyl) 2,2,2-triphenylacetate
CID 22605235
2-(4-methylphenyl)-2,2-diphenylacetic acid
CID 19733760
dimethyl 2-phenyl-2-propan-2-ylpropanedioate
CID 142728088
methyl 2-methylsulfinyl-2,2-diphenylacetate
CID 68803988

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methylphenyl)-2,2-diphenylacetate?
The IUPAC name of methyl 2-(2-methylphenyl)-2,2-diphenylacetate (CID 620898) is methyl 2-(2-methylphenyl)-2,2-diphenylacetate.
What is the SMILES notation for methyl 2-(2-methylphenyl)-2,2-diphenylacetate?
The canonical SMILES for methyl 2-(2-methylphenyl)-2,2-diphenylacetate is COC(=O)C(c1ccccc1)(c1ccccc1)c1ccccc1C.
What is the InChIKey of methyl 2-(2-methylphenyl)-2,2-diphenylacetate?
The InChIKey is WEUHKYUKMCDIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20O2/c1-17-11-9-10-16-20(17)22(21(23)24-2,18-12-5-3-6-13-18)19-14-7-4-8-15-19/h3-16H,1-2H3.
What are the key properties of methyl 2-(2-methylphenyl)-2,2-diphenylacetate?
methyl 2-(2-methylphenyl)-2,2-diphenylacetate has a molecular weight of 316.40 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methylphenyl)-2,2-diphenylacetate is sourced from PubChem (CID 620898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).