ethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate

C30H34O6 — CID 169291926

IUPACethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1ccc(-c2cc(OC)c(C)c(OC)c2)c(COC2Cc3ccccc3C2)c1
InChIInChI=1S/C30H34O6/c1-5-34-30(31)12-13-35-25-10-11-27(23-17-28(32-3)20(2)29(18-23)33-4)24(16-25)19-36-26-14-21-8-6-7-9-22(21)15-26/h6-11,16-18,26H,5,12-15,19H2,1-4H3
InChIKeyKSAYWCZKOXKZRS-UHFFFAOYSA-N
MW490.60 g/mol
LogP5.70
Rot. Bonds11

About ethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate

ethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate (PubChem CID 169291926) has the molecular formula C30H34O6 and a molecular weight of 490.60 g/mol. Its IUPAC name is ethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate.

Molecular Properties

Compound Nameethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate
PubChem CID169291926
Molecular FormulaC30H34O6
Molecular Weight490.60 g/mol
Exact Mass490.24
IUPAC Nameethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate
SMILESCCOC(=O)CCOc1ccc(-c2cc(OC)c(C)c(OC)c2)c(COC2Cc3ccccc3C2)c1
InChIInChI=1S/C30H34O6/c1-5-34-30(31)12-13-35-25-10-11-27(23-17-28(32-3)20(2)29(18-23)33-4)24(16-25)19-36-26-14-21-8-6-7-9-22(21)15-26/h6-11,16-18,26H,5,12-15,19H2,1-4H3
InChIKeyKSAYWCZKOXKZRS-UHFFFAOYSA-N
XLogP5.70
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.60
LogP ≤ 55.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze ethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate?
The IUPAC name of ethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate (CID 169291926) is ethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate.
What is the SMILES notation for ethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate?
The canonical SMILES for ethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate is CCOC(=O)CCOc1ccc(-c2cc(OC)c(C)c(OC)c2)c(COC2Cc3ccccc3C2)c1.
What is the InChIKey of ethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate?
The InChIKey is KSAYWCZKOXKZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34O6/c1-5-34-30(31)12-13-35-25-10-11-27(23-17-28(32-3)20(2)29(18-23)33-4)24(16-25)19-36-26-14-21-8-6-7-9-22(21)15-26/h6-11,16-18,26H,5,12-15,19H2,1-4H3.
What are the key properties of ethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate?
ethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate has a molecular weight of 490.60 g/mol, XLogP of 5.70, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[3-(2,3-dihydro-1H-inden-2-yloxymethyl)-4-(3,5-dimethoxy-4-methylphenyl)phenoxy]propanoate is sourced from PubChem (CID 169291926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).