dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate

C24H20O6 — CID 2463089

IUPACdimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OC(=O)C(c2ccccc2)c2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C24H20O6/c1-28-22(25)18-13-19(23(26)29-2)15-20(14-18)30-24(27)21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,1-2H3
InChIKeyPIPBPBNLESCGBT-UHFFFAOYSA-N
MW404.42 g/mol
LogP4.00
Rot. Bonds6

About dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate

dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate (PubChem CID 2463089) has the molecular formula C24H20O6 and a molecular weight of 404.42 g/mol. Its IUPAC name is dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate
PubChem CID2463089
Molecular FormulaC24H20O6
Molecular Weight404.42 g/mol
Exact Mass404.13
IUPAC Namedimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate
SMILESCOC(=O)c1cc(OC(=O)C(c2ccccc2)c2ccccc2)cc(C(=O)OC)c1
InChIInChI=1S/C24H20O6/c1-28-22(25)18-13-19(23(26)29-2)15-20(14-18)30-24(27)21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,1-2H3
InChIKeyPIPBPBNLESCGBT-UHFFFAOYSA-N
XLogP4.00
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.42
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

dimethyl 5-(2-benzamido-2-phenylacetyl)oxybenzene-1,3-dicarboxylate
CID 55456118
dimethyl 5-[2-[ethyl(methyl)amino]-2-phenylacetyl]oxybenzene-1,3-dicarboxylate
CID 56582607
5-O-methyl 1-O,3-O-diphenyl benzene-1,3,5-tricarboxylate
CID 71365622
dimethyl 5-[(E)-4-oxo-4-phenoxybut-2-enoyl]oxybenzene-1,3-dicarboxylate
CID 130409788
dimethyl 5-[[3-[3,5-bis(methoxycarbonyl)anilino]-3-oxo-2-phenylpropanoyl]amino]benzene-1,3-dicarboxylate
CID 3394738
(4-ethylphenyl) 2,2-diphenylacetate
CID 1226572
dimethyl 5-[2-(2-amino-2-oxoethyl)sulfanylbenzoyl]oxybenzene-1,3-dicarboxylate
CID 9456486
4-(2,2-diphenylacetyl)oxybenzoate
CID 6956217
dimethyl 5-(2-fluorobenzoyl)oxybenzene-1,3-dicarboxylate
CID 2462733
dimethyl 5-[2-(3-chlorophenoxy)propanoyloxy]benzene-1,3-dicarboxylate
CID 55341605
dimethyl 5-(1-benzofuran-2-carbonyloxy)benzene-1,3-dicarboxylate
CID 8018328
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate (CID 2463089) is dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate is COC(=O)c1cc(OC(=O)C(c2ccccc2)c2ccccc2)cc(C(=O)OC)c1.
What is the InChIKey of dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate?
The InChIKey is PIPBPBNLESCGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20O6/c1-28-22(25)18-13-19(23(26)29-2)15-20(14-18)30-24(27)21(16-9-5-3-6-10-16)17-11-7-4-8-12-17/h3-15,21H,1-2H3.
What are the key properties of dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate?
dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate has a molecular weight of 404.42 g/mol, XLogP of 4.00, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-(2,2-diphenylacetyl)oxybenzene-1,3-dicarboxylate is sourced from PubChem (CID 2463089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).