4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene

C18H18O2 — CID 173192850

IUPAC4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene
SMILESCOc1cc(OC)cc(-c2cccc3c2C=C(C)C3)c1
InChIInChI=1S/C18H18O2/c1-12-7-13-5-4-6-17(18(13)8-12)14-9-15(19-2)11-16(10-14)20-3/h4-6,8-11H,7H2,1-3H3
InChIKeyRMKYMYHVAGPSPY-UHFFFAOYSA-N
MW266.34 g/mol
LogP4.33
Rot. Bonds3

About 4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene

4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene (PubChem CID 173192850) has the molecular formula C18H18O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene.

Molecular Properties

Compound Name4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene
PubChem CID173192850
Molecular FormulaC18H18O2
Molecular Weight266.34 g/mol
Exact Mass266.13
IUPAC Name4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene
SMILESCOc1cc(OC)cc(-c2cccc3c2C=C(C)C3)c1
InChIInChI=1S/C18H18O2/c1-12-7-13-5-4-6-17(18(13)8-12)14-9-15(19-2)11-16(10-14)20-3/h4-6,8-11H,7H2,1-3H3
InChIKeyRMKYMYHVAGPSPY-UHFFFAOYSA-N
XLogP4.33
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene?
The IUPAC name of 4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene (CID 173192850) is 4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene.
What is the SMILES notation for 4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene?
The canonical SMILES for 4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene is COc1cc(OC)cc(-c2cccc3c2C=C(C)C3)c1.
What is the InChIKey of 4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene?
The InChIKey is RMKYMYHVAGPSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O2/c1-12-7-13-5-4-6-17(18(13)8-12)14-9-15(19-2)11-16(10-14)20-3/h4-6,8-11H,7H2,1-3H3.
What are the key properties of 4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene?
4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene has a molecular weight of 266.34 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethoxyphenyl)-2-methyl-1H-indene is sourced from PubChem (CID 173192850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).