ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate

C28H29ClO3 — CID 68859367

IUPACethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCCOC(=O)CC1CCc2c1cc(-c1ccc3ccccc3c1)c(OC1CCCC1)c2Cl
InChIInChI=1S/C28H29ClO3/c1-2-31-26(30)16-21-13-14-23-24(21)17-25(28(27(23)29)32-22-9-5-6-10-22)20-12-11-18-7-3-4-8-19(18)15-20/h3-4,7-8,11-12,15,17,21-22H,2,5-6,9-10,13-14,16H2,1H3
InChIKeyBHPUYKOPZHSJTA-UHFFFAOYSA-N
MW448.99 g/mol
LogP7.46
Rot. Bonds6

About ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate

ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate (PubChem CID 68859367) has the molecular formula C28H29ClO3 and a molecular weight of 448.99 g/mol. Its IUPAC name is ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate
PubChem CID68859367
Molecular FormulaC28H29ClO3
Molecular Weight448.99 g/mol
Exact Mass448.18
IUPAC Nameethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate
SMILESCCOC(=O)CC1CCc2c1cc(-c1ccc3ccccc3c1)c(OC1CCCC1)c2Cl
InChIInChI=1S/C28H29ClO3/c1-2-31-26(30)16-21-13-14-23-24(21)17-25(28(27(23)29)32-22-9-5-6-10-22)20-12-11-18-7-3-4-8-19(18)15-20/h3-4,7-8,11-12,15,17,21-22H,2,5-6,9-10,13-14,16H2,1H3
InChIKeyBHPUYKOPZHSJTA-UHFFFAOYSA-N
XLogP7.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.99
LogP ≤ 57.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)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 ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate?
The IUPAC name of ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate (CID 68859367) is ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate.
What is the SMILES notation for ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate?
The canonical SMILES for ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate is CCOC(=O)CC1CCc2c1cc(-c1ccc3ccccc3c1)c(OC1CCCC1)c2Cl.
What is the InChIKey of ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate?
The InChIKey is BHPUYKOPZHSJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClO3/c1-2-31-26(30)16-21-13-14-23-24(21)17-25(28(27(23)29)32-22-9-5-6-10-22)20-12-11-18-7-3-4-8-19(18)15-20/h3-4,7-8,11-12,15,17,21-22H,2,5-6,9-10,13-14,16H2,1H3.
What are the key properties of ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate?
ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate has a molecular weight of 448.99 g/mol, XLogP of 7.46, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-chloro-5-cyclopentyloxy-6-naphthalen-2-yl-2,3-dihydro-1H-inden-1-yl)acetate is sourced from PubChem (CID 68859367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).