4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one

C18H18O4 — CID 53475510

IUPAC4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(C2CC(=O)c3cc(OC)cc(OC)c32)cc1
InChIInChI=1S/C18H18O4/c1-20-12-6-4-11(5-7-12)14-10-16(19)15-8-13(21-2)9-17(22-3)18(14)15/h4-9,14H,10H2,1-3H3
InChIKeyOYJBHGSSAJNKJF-UHFFFAOYSA-N
MW298.34 g/mol
LogP3.43
Rot. Bonds4

About 4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one

4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one (PubChem CID 53475510) has the molecular formula C18H18O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one
PubChem CID53475510
Molecular FormulaC18H18O4
Molecular Weight298.34 g/mol
Exact Mass298.12
IUPAC Name4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one
SMILESCOc1ccc(C2CC(=O)c3cc(OC)cc(OC)c32)cc1
InChIInChI=1S/C18H18O4/c1-20-12-6-4-11(5-7-12)14-10-16(19)15-8-13(21-2)9-17(22-3)18(14)15/h4-9,14H,10H2,1-3H3
InChIKeyOYJBHGSSAJNKJF-UHFFFAOYSA-N
XLogP3.43
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
The IUPAC name of 4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one (CID 53475510) is 4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one.
What is the SMILES notation for 4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
The canonical SMILES for 4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one is COc1ccc(C2CC(=O)c3cc(OC)cc(OC)c32)cc1.
What is the InChIKey of 4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
The InChIKey is OYJBHGSSAJNKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O4/c1-20-12-6-4-11(5-7-12)14-10-16(19)15-8-13(21-2)9-17(22-3)18(14)15/h4-9,14H,10H2,1-3H3.
What are the key properties of 4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one?
4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one has a molecular weight of 298.34 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-3-(4-methoxyphenyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 53475510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).