5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene

C20H18O2 — CID 126638907

IUPAC5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene
SMILESCOc1ccc2c(c1)C=CC2c1cc(OC)cc2c1C=CC2
InChIInChI=1S/C20H18O2/c1-21-15-7-9-18-14(10-15)6-8-19(18)20-12-16(22-2)11-13-4-3-5-17(13)20/h3,5-12,19H,4H2,1-2H3
InChIKeyKLNDRSBACBGNIU-UHFFFAOYSA-N
MW290.36 g/mol
LogP4.43
Rot. Bonds3

About 5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene

5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene (PubChem CID 126638907) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene.

Molecular Properties

Compound Name5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene
PubChem CID126638907
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene
SMILESCOc1ccc2c(c1)C=CC2c1cc(OC)cc2c1C=CC2
InChIInChI=1S/C20H18O2/c1-21-15-7-9-18-14(10-15)6-8-19(18)20-12-16(22-2)11-13-4-3-5-17(13)20/h3,5-12,19H,4H2,1-2H3
InChIKeyKLNDRSBACBGNIU-UHFFFAOYSA-N
XLogP4.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene?
The IUPAC name of 5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene (CID 126638907) is 5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene.
What is the SMILES notation for 5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene?
The canonical SMILES for 5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene is COc1ccc2c(c1)C=CC2c1cc(OC)cc2c1C=CC2.
What is the InChIKey of 5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene?
The InChIKey is KLNDRSBACBGNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-21-15-7-9-18-14(10-15)6-8-19(18)20-12-16(22-2)11-13-4-3-5-17(13)20/h3,5-12,19H,4H2,1-2H3.
What are the key properties of 5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene?
5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene has a molecular weight of 290.36 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(6-methoxy-1H-inden-4-yl)-1H-indene is sourced from PubChem (CID 126638907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).