2,3-bis(4-methoxyphenyl)inden-1-one

C23H18O3 — CID 10991496

IUPAC2,3-bis(4-methoxyphenyl)inden-1-one
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H18O3/c1-25-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23(24)22(21)16-9-13-18(26-2)14-10-16/h3-14H,1-2H3
InChIKeyHDPLGIPDBVPYNK-UHFFFAOYSA-N
MW342.39 g/mol
LogP4.86
Rot. Bonds4

About 2,3-bis(4-methoxyphenyl)inden-1-one

2,3-bis(4-methoxyphenyl)inden-1-one (PubChem CID 10991496) has the molecular formula C23H18O3 and a molecular weight of 342.39 g/mol. Its IUPAC name is 2,3-bis(4-methoxyphenyl)inden-1-one.

Molecular Properties

Compound Name2,3-bis(4-methoxyphenyl)inden-1-one
PubChem CID10991496
Molecular FormulaC23H18O3
Molecular Weight342.39 g/mol
Exact Mass342.13
IUPAC Name2,3-bis(4-methoxyphenyl)inden-1-one
SMILESCOc1ccc(C2=C(c3ccc(OC)cc3)c3ccccc3C2=O)cc1
InChIInChI=1S/C23H18O3/c1-25-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23(24)22(21)16-9-13-18(26-2)14-10-16/h3-14H,1-2H3
InChIKeyHDPLGIPDBVPYNK-UHFFFAOYSA-N
XLogP4.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(4-methoxyphenyl)inden-1-one?
The IUPAC name of 2,3-bis(4-methoxyphenyl)inden-1-one (CID 10991496) is 2,3-bis(4-methoxyphenyl)inden-1-one.
What is the SMILES notation for 2,3-bis(4-methoxyphenyl)inden-1-one?
The canonical SMILES for 2,3-bis(4-methoxyphenyl)inden-1-one is COc1ccc(C2=C(c3ccc(OC)cc3)c3ccccc3C2=O)cc1.
What is the InChIKey of 2,3-bis(4-methoxyphenyl)inden-1-one?
The InChIKey is HDPLGIPDBVPYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18O3/c1-25-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23(24)22(21)16-9-13-18(26-2)14-10-16/h3-14H,1-2H3.
What are the key properties of 2,3-bis(4-methoxyphenyl)inden-1-one?
2,3-bis(4-methoxyphenyl)inden-1-one has a molecular weight of 342.39 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(4-methoxyphenyl)inden-1-one is sourced from PubChem (CID 10991496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).