2-(2,3,4-trimethoxyphenyl)-1H-indene

C18H18O3 — CID 23627032

IUPAC2-(2,3,4-trimethoxyphenyl)-1H-indene
SMILESCOc1ccc(C2=Cc3ccccc3C2)c(OC)c1OC
InChIInChI=1S/C18H18O3/c1-19-16-9-8-15(17(20-2)18(16)21-3)14-10-12-6-4-5-7-13(12)11-14/h4-10H,11H2,1-3H3
InChIKeyULQHBVJHLIJHLL-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.81
Rot. Bonds4

About 2-(2,3,4-trimethoxyphenyl)-1H-indene

2-(2,3,4-trimethoxyphenyl)-1H-indene (PubChem CID 23627032) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2-(2,3,4-trimethoxyphenyl)-1H-indene.

Molecular Properties

Compound Name2-(2,3,4-trimethoxyphenyl)-1H-indene
PubChem CID23627032
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2-(2,3,4-trimethoxyphenyl)-1H-indene
SMILESCOc1ccc(C2=Cc3ccccc3C2)c(OC)c1OC
InChIInChI=1S/C18H18O3/c1-19-16-9-8-15(17(20-2)18(16)21-3)14-10-12-6-4-5-7-13(12)11-14/h4-10H,11H2,1-3H3
InChIKeyULQHBVJHLIJHLL-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3,4-trimethoxyphenyl)-1H-indene?
The IUPAC name of 2-(2,3,4-trimethoxyphenyl)-1H-indene (CID 23627032) is 2-(2,3,4-trimethoxyphenyl)-1H-indene.
What is the SMILES notation for 2-(2,3,4-trimethoxyphenyl)-1H-indene?
The canonical SMILES for 2-(2,3,4-trimethoxyphenyl)-1H-indene is COc1ccc(C2=Cc3ccccc3C2)c(OC)c1OC.
What is the InChIKey of 2-(2,3,4-trimethoxyphenyl)-1H-indene?
The InChIKey is ULQHBVJHLIJHLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-19-16-9-8-15(17(20-2)18(16)21-3)14-10-12-6-4-5-7-13(12)11-14/h4-10H,11H2,1-3H3.
What are the key properties of 2-(2,3,4-trimethoxyphenyl)-1H-indene?
2-(2,3,4-trimethoxyphenyl)-1H-indene has a molecular weight of 282.34 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3,4-trimethoxyphenyl)-1H-indene is sourced from PubChem (CID 23627032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).