4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one

C23H26O5 — CID 54577817

IUPAC4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one
SMILESCCOc1ccc(-c2cccc3c2CCC3=O)c(OCC2(C)COC2)c1OC
InChIInChI=1S/C23H26O5/c1-4-27-20-11-9-18(15-6-5-7-17-16(15)8-10-19(17)24)21(22(20)25-3)28-14-23(2)12-26-13-23/h5-7,9,11H,4,8,10,12-14H2,1-3H3
InChIKeyTVFYCHQGJGSHCY-UHFFFAOYSA-N
MW382.46 g/mol
LogP4.31
Rot. Bonds7

About 4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one

4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one (PubChem CID 54577817) has the molecular formula C23H26O5 and a molecular weight of 382.46 g/mol. Its IUPAC name is 4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one.

Molecular Properties

Compound Name4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one
PubChem CID54577817
Molecular FormulaC23H26O5
Molecular Weight382.46 g/mol
Exact Mass382.18
IUPAC Name4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one
SMILESCCOc1ccc(-c2cccc3c2CCC3=O)c(OCC2(C)COC2)c1OC
InChIInChI=1S/C23H26O5/c1-4-27-20-11-9-18(15-6-5-7-17-16(15)8-10-19(17)24)21(22(20)25-3)28-14-23(2)12-26-13-23/h5-7,9,11H,4,8,10,12-14H2,1-3H3
InChIKeyTVFYCHQGJGSHCY-UHFFFAOYSA-N
XLogP4.31
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one 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 4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one?
The IUPAC name of 4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one (CID 54577817) is 4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one.
What is the SMILES notation for 4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one?
The canonical SMILES for 4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one is CCOc1ccc(-c2cccc3c2CCC3=O)c(OCC2(C)COC2)c1OC.
What is the InChIKey of 4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one?
The InChIKey is TVFYCHQGJGSHCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26O5/c1-4-27-20-11-9-18(15-6-5-7-17-16(15)8-10-19(17)24)21(22(20)25-3)28-14-23(2)12-26-13-23/h5-7,9,11H,4,8,10,12-14H2,1-3H3.
What are the key properties of 4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one?
4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one has a molecular weight of 382.46 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-ethoxy-3-methoxy-2-[(3-methyloxetan-3-yl)methoxy]phenyl]-2,3-dihydroinden-1-one is sourced from PubChem (CID 54577817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).