diethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate

C22H24O5 — CID 11003125

IUPACdiethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)Cc2ccc(O)c(-c3ccccc3)c2C1C
InChIInChI=1S/C22H24O5/c1-4-26-20(24)22(21(25)27-5-2)13-16-11-12-17(23)19(18(16)14(22)3)15-9-7-6-8-10-15/h6-12,14,23H,4-5,13H2,1-3H3
InChIKeyFRCGCHYRDXDZHL-UHFFFAOYSA-N
MW368.43 g/mol
LogP3.83
Rot. Bonds5

About diethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate

diethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate (PubChem CID 11003125) has the molecular formula C22H24O5 and a molecular weight of 368.43 g/mol. Its IUPAC name is diethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate
PubChem CID11003125
Molecular FormulaC22H24O5
Molecular Weight368.43 g/mol
Exact Mass368.16
IUPAC Namediethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate
SMILESCCOC(=O)C1(C(=O)OCC)Cc2ccc(O)c(-c3ccccc3)c2C1C
InChIInChI=1S/C22H24O5/c1-4-26-20(24)22(21(25)27-5-2)13-16-11-12-17(23)19(18(16)14(22)3)15-9-7-6-8-10-15/h6-12,14,23H,4-5,13H2,1-3H3
InChIKeyFRCGCHYRDXDZHL-UHFFFAOYSA-N
XLogP3.83
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.43
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-phenyl-1,3-dihydroindene-2-carboxylate
CID 118559917
diethyl 5,6-bis(hydroxymethyl)-4,7-diphenyl-1,3-dihydroindene-2,2-dicarboxylate
CID 59398687
ethyl 1-benzylcyclopropane-1-carboxylate
CID 12619318
diethyl 4-fluoro-5,6,7-triphenyl-1,3-dihydroindene-2,2-dicarboxylate
CID 122203109
diethyl (5S,6R)-5-benzoyl-6-methylcyclohex-3-ene-1,1-dicarboxylate
CID 15498417
ethyl 13-aminopentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene-13-carboxylate
CID 102066296
diethyl 1-(4-phenylphenyl)-1,3-dihydrocyclopenta[b][1]benzofuran-2,2-dicarboxylate
CID 164853935
diethyl (1S,5S)-4-methylidene-10-oxo-1-phenylspiro[4.5]decane-2,2-dicarboxylate
CID 11349630
cis-ethyl (1R,2R)-1-chloro-2-phenylcyclopropane-1-carboxylate
CID 25137557
ethyl 1-[(3-phenylphenyl)methyl]cyclopent-3-ene-1-carboxylate
CID 171504806
diethyl (2R)-2-(1,3-dioxoisoindol-2-yl)cyclopropane-1,1-dicarboxylate
CID 169410251
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430

Frequently Asked Questions

What is the IUPAC name of diethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate?
The IUPAC name of diethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate (CID 11003125) is diethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate.
What is the SMILES notation for diethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate?
The canonical SMILES for diethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate is CCOC(=O)C1(C(=O)OCC)Cc2ccc(O)c(-c3ccccc3)c2C1C.
What is the InChIKey of diethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate?
The InChIKey is FRCGCHYRDXDZHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O5/c1-4-26-20(24)22(21(25)27-5-2)13-16-11-12-17(23)19(18(16)14(22)3)15-9-7-6-8-10-15/h6-12,14,23H,4-5,13H2,1-3H3.
What are the key properties of diethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate?
diethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate has a molecular weight of 368.43 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 6-hydroxy-1-methyl-7-phenyl-1,3-dihydroindene-2,2-dicarboxylate is sourced from PubChem (CID 11003125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).