5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene

C18H18O3 — CID 19431302

IUPAC5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene
SMILESCOc1ccc(C2=CCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C18H18O3/c1-19-14-7-4-12(5-8-14)15-9-6-13-10-17(20-2)18(21-3)11-16(13)15/h4-5,7-11H,6H2,1-3H3
InChIKeyCILDYXIJHCODQF-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.70
Rot. Bonds4

About 5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene

5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene (PubChem CID 19431302) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene.

Molecular Properties

Compound Name5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene
PubChem CID19431302
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene
SMILESCOc1ccc(C2=CCc3cc(OC)c(OC)cc32)cc1
InChIInChI=1S/C18H18O3/c1-19-14-7-4-12(5-8-14)15-9-6-13-10-17(20-2)18(21-3)11-16(13)15/h4-5,7-11H,6H2,1-3H3
InChIKeyCILDYXIJHCODQF-UHFFFAOYSA-N
XLogP3.70
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene?
The IUPAC name of 5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene (CID 19431302) is 5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene.
What is the SMILES notation for 5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene?
The canonical SMILES for 5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene is COc1ccc(C2=CCc3cc(OC)c(OC)cc32)cc1.
What is the InChIKey of 5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene?
The InChIKey is CILDYXIJHCODQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-19-14-7-4-12(5-8-14)15-9-6-13-10-17(20-2)18(21-3)11-16(13)15/h4-5,7-11H,6H2,1-3H3.
What are the key properties of 5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene?
5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene has a molecular weight of 282.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethoxy-3-(4-methoxyphenyl)-1H-indene is sourced from PubChem (CID 19431302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).