methyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate

C26H24O5 — CID 132543637

IUPACmethyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate
SMILESCOC(=O)C1(c2c(OC)cc(OC)cc2OC)C(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C26H24O5/c1-28-19-15-22(29-2)24(23(16-19)30-3)26(25(27)31-4)20-13-9-8-12-18(20)14-21(26)17-10-6-5-7-11-17/h5-16H,1-4H3
InChIKeyMXWUYMDPGYTRNT-UHFFFAOYSA-N
MW416.47 g/mol
LogP4.73
Rot. Bonds6

About methyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate

methyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate (PubChem CID 132543637) has the molecular formula C26H24O5 and a molecular weight of 416.47 g/mol. Its IUPAC name is methyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate
PubChem CID132543637
Molecular FormulaC26H24O5
Molecular Weight416.47 g/mol
Exact Mass416.16
IUPAC Namemethyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate
SMILESCOC(=O)C1(c2c(OC)cc(OC)cc2OC)C(c2ccccc2)=Cc2ccccc21
InChIInChI=1S/C26H24O5/c1-28-19-15-22(29-2)24(23(16-19)30-3)26(25(27)31-4)20-13-9-8-12-18(20)14-21(26)17-10-6-5-7-11-17/h5-16H,1-4H3
InChIKeyMXWUYMDPGYTRNT-UHFFFAOYSA-N
XLogP4.73
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.47
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate?
The IUPAC name of methyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate (CID 132543637) is methyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate.
What is the SMILES notation for methyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate?
The canonical SMILES for methyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate is COC(=O)C1(c2c(OC)cc(OC)cc2OC)C(c2ccccc2)=Cc2ccccc21.
What is the InChIKey of methyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate?
The InChIKey is MXWUYMDPGYTRNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24O5/c1-28-19-15-22(29-2)24(23(16-19)30-3)26(25(27)31-4)20-13-9-8-12-18(20)14-21(26)17-10-6-5-7-11-17/h5-16H,1-4H3.
What are the key properties of methyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate?
methyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate has a molecular weight of 416.47 g/mol, XLogP of 4.73, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-1-(2,4,6-trimethoxyphenyl)indene-1-carboxylate is sourced from PubChem (CID 132543637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).