methyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate

C25H24O2 — CID 10405990

IUPACmethyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21
InChIInChI=1S/C25H24O2/c1-27-24(26)25(18-20-10-6-3-7-11-20)15-14-22-13-12-21(17-23(22)25)16-19-8-4-2-5-9-19/h2-13,17H,14-16,18H2,1H3
InChIKeySCIFAMUXVONJNS-UHFFFAOYSA-N
MW356.47 g/mol
LogP4.88
Rot. Bonds5

About methyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate

methyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate (PubChem CID 10405990) has the molecular formula C25H24O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is methyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate.

Molecular Properties

Compound Namemethyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate
PubChem CID10405990
Molecular FormulaC25H24O2
Molecular Weight356.47 g/mol
Exact Mass356.18
IUPAC Namemethyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate
SMILESCOC(=O)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21
InChIInChI=1S/C25H24O2/c1-27-24(26)25(18-20-10-6-3-7-11-20)15-14-22-13-12-21(17-23(22)25)16-19-8-4-2-5-9-19/h2-13,17H,14-16,18H2,1H3
InChIKeySCIFAMUXVONJNS-UHFFFAOYSA-N
XLogP4.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate?
The IUPAC name of methyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate (CID 10405990) is methyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate.
What is the SMILES notation for methyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate?
The canonical SMILES for methyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate is COC(=O)C1(Cc2ccccc2)CCc2ccc(Cc3ccccc3)cc21.
What is the InChIKey of methyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate?
The InChIKey is SCIFAMUXVONJNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24O2/c1-27-24(26)25(18-20-10-6-3-7-11-20)15-14-22-13-12-21(17-23(22)25)16-19-8-4-2-5-9-19/h2-13,17H,14-16,18H2,1H3.
What are the key properties of methyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate?
methyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate has a molecular weight of 356.47 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,6-dibenzyl-2,3-dihydroindene-1-carboxylate is sourced from PubChem (CID 10405990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).