methyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate

C32H26O3 — CID 101078310

IUPACmethyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate
SMILESCOC(=O)C(=C(c1ccccc1)c1ccccc1)C1=C(c2ccccc2)c2ccccc2C1OC
InChIInChI=1S/C32H26O3/c1-34-31-26-21-13-12-20-25(26)28(24-18-10-5-11-19-24)29(31)30(32(33)35-2)27(22-14-6-3-7-15-22)23-16-8-4-9-17-23/h3-21,31H,1-2H3
InChIKeyDBUKNBQWQGDHTN-UHFFFAOYSA-N
MW458.56 g/mol
LogP6.86
Rot. Bonds6

About methyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate

methyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate (PubChem CID 101078310) has the molecular formula C32H26O3 and a molecular weight of 458.56 g/mol. Its IUPAC name is methyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate.

Molecular Properties

Compound Namemethyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate
PubChem CID101078310
Molecular FormulaC32H26O3
Molecular Weight458.56 g/mol
Exact Mass458.19
IUPAC Namemethyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate
SMILESCOC(=O)C(=C(c1ccccc1)c1ccccc1)C1=C(c2ccccc2)c2ccccc2C1OC
InChIInChI=1S/C32H26O3/c1-34-31-26-21-13-12-20-25(26)28(24-18-10-5-11-19-24)29(31)30(32(33)35-2)27(22-14-6-3-7-15-22)23-16-8-4-9-17-23/h3-21,31H,1-2H3
InChIKeyDBUKNBQWQGDHTN-UHFFFAOYSA-N
XLogP6.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate?
The IUPAC name of methyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate (CID 101078310) is methyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate.
What is the SMILES notation for methyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate?
The canonical SMILES for methyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate is COC(=O)C(=C(c1ccccc1)c1ccccc1)C1=C(c2ccccc2)c2ccccc2C1OC.
What is the InChIKey of methyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate?
The InChIKey is DBUKNBQWQGDHTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26O3/c1-34-31-26-21-13-12-20-25(26)28(24-18-10-5-11-19-24)29(31)30(32(33)35-2)27(22-14-6-3-7-15-22)23-16-8-4-9-17-23/h3-21,31H,1-2H3.
What are the key properties of methyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate?
methyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate has a molecular weight of 458.56 g/mol, XLogP of 6.86, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-methoxy-3-phenyl-1H-inden-2-yl)-3,3-diphenylprop-2-enoate is sourced from PubChem (CID 101078310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).