[2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate

C25H32O8 — CID 19887993

IUPAC[2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate
SMILESCOc1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)C2OC(C)=O)cc(OC)c1OC
InChIInChI=1S/C25H32O8/c1-14(26)33-23-17(15-10-19(27-2)24(31-6)20(11-15)28-3)8-9-18(23)16-12-21(29-4)25(32-7)22(13-16)30-5/h10-13,17-18,23H,8-9H2,1-7H3
InChIKeyKKDCJRJIGCACIE-UHFFFAOYSA-N
MW460.52 g/mol
LogP4.33
Rot. Bonds9

About [2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate

[2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate (PubChem CID 19887993) has the molecular formula C25H32O8 and a molecular weight of 460.52 g/mol. Its IUPAC name is [2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate.

Molecular Properties

Compound Name[2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate
PubChem CID19887993
Molecular FormulaC25H32O8
Molecular Weight460.52 g/mol
Exact Mass460.21
IUPAC Name[2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate
SMILESCOc1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)C2OC(C)=O)cc(OC)c1OC
InChIInChI=1S/C25H32O8/c1-14(26)33-23-17(15-10-19(27-2)24(31-6)20(11-15)28-3)8-9-18(23)16-12-21(29-4)25(32-7)22(13-16)30-5/h10-13,17-18,23H,8-9H2,1-7H3
InChIKeyKKDCJRJIGCACIE-UHFFFAOYSA-N
XLogP4.33
TPSA81.68 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.52
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate 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 [2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate?
The IUPAC name of [2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate (CID 19887993) is [2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate.
What is the SMILES notation for [2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate?
The canonical SMILES for [2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate is COc1cc(C2CCC(c3cc(OC)c(OC)c(OC)c3)C2OC(C)=O)cc(OC)c1OC.
What is the InChIKey of [2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate?
The InChIKey is KKDCJRJIGCACIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32O8/c1-14(26)33-23-17(15-10-19(27-2)24(31-6)20(11-15)28-3)8-9-18(23)16-12-21(29-4)25(32-7)22(13-16)30-5/h10-13,17-18,23H,8-9H2,1-7H3.
What are the key properties of [2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate?
[2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate has a molecular weight of 460.52 g/mol, XLogP of 4.33, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2,5-bis(3,4,5-trimethoxyphenyl)cyclopentyl] acetate is sourced from PubChem (CID 19887993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).