diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate

C24H24O6 — CID 132933625

IUPACdiethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C(CC(=O)OCc2ccccc2)=Cc2ccccc21
InChIInChI=1S/C24H24O6/c1-3-28-22(26)24(23(27)29-4-2)19(14-18-12-8-9-13-20(18)24)15-21(25)30-16-17-10-6-5-7-11-17/h5-14H,3-4,15-16H2,1-2H3
InChIKeyAMIPOLHPEGDTCR-UHFFFAOYSA-N
MW408.45 g/mol
LogP3.58
Rot. Bonds8

About diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate

diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate (PubChem CID 132933625) has the molecular formula C24H24O6 and a molecular weight of 408.45 g/mol. Its IUPAC name is diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate
PubChem CID132933625
Molecular FormulaC24H24O6
Molecular Weight408.45 g/mol
Exact Mass408.16
IUPAC Namediethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)C(CC(=O)OCc2ccccc2)=Cc2ccccc21
InChIInChI=1S/C24H24O6/c1-3-28-22(26)24(23(27)29-4-2)19(14-18-12-8-9-13-20(18)24)15-21(25)30-16-17-10-6-5-7-11-17/h5-14H,3-4,15-16H2,1-2H3
InChIKeyAMIPOLHPEGDTCR-UHFFFAOYSA-N
XLogP3.58
TPSA78.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.45
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-phenylacetate
CID 7590
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ethyl 2-phenylacetate;hydrate
CID 141257001
benzyl propanoate;hydrochloride
CID 140986165
ethyl 2-(2-oxo-2-phenylmethoxyethyl)sulfanylacetate
CID 4101849
4-O-benzyl 1-O-ethyl (2S)-2-hydroxybutanedioate
CID 102323442
benzyl 3-methylbutanoate;ethyl 3-methylbutanoate;phenylmethanol
CID 159024210
benzyl 2-[5-(4-methylphenyl)tetrazol-5-yl]acetate
CID 69386669
2-O,3-O-dibenzyl 1-O-ethyl 1-fluorocyclopropane-1,2,3-tricarboxylate
CID 135063089
benzyl 3,4-dimethylhexanoate
CID 123356915
(3S,4S)-3-ethoxycarbonyl-4-phenylmethoxycarbonylhexanedioic acid
CID 130401923
1-O,1-O-dibenzyl 2-O-ethyl ethane-1,1,2-tricarboxylate
CID 130210104

Frequently Asked Questions

What is the IUPAC name of diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate?
The IUPAC name of diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate (CID 132933625) is diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate.
What is the SMILES notation for diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate?
The canonical SMILES for diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate is CCOC(=O)C1(C(=O)OCC)C(CC(=O)OCc2ccccc2)=Cc2ccccc21.
What is the InChIKey of diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate?
The InChIKey is AMIPOLHPEGDTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24O6/c1-3-28-22(26)24(23(27)29-4-2)19(14-18-12-8-9-13-20(18)24)15-21(25)30-16-17-10-6-5-7-11-17/h5-14H,3-4,15-16H2,1-2H3.
What are the key properties of diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate?
diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate has a molecular weight of 408.45 g/mol, XLogP of 3.58, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-(2-oxo-2-phenylmethoxyethyl)indene-1,1-dicarboxylate is sourced from PubChem (CID 132933625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).