6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one

C23H27NO4 — CID 70225326

IUPAC6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one
SMILESCOc1ccc(C2CN(C)C(=O)CO2)cc1OCCC1Cc2ccccc2C1
InChIInChI=1S/C23H27NO4/c1-24-14-22(28-15-23(24)25)19-7-8-20(26-2)21(13-19)27-10-9-16-11-17-5-3-4-6-18(17)12-16/h3-8,13,16,22H,9-12,14-15H2,1-2H3
InChIKeyLDKYZXGOFDRHJS-UHFFFAOYSA-N
MW381.47 g/mol
LogP3.41
Rot. Bonds6

About 6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one

6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one (PubChem CID 70225326) has the molecular formula C23H27NO4 and a molecular weight of 381.47 g/mol. Its IUPAC name is 6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one.

Molecular Properties

Compound Name6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one
PubChem CID70225326
Molecular FormulaC23H27NO4
Molecular Weight381.47 g/mol
Exact Mass381.19
IUPAC Name6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one
SMILESCOc1ccc(C2CN(C)C(=O)CO2)cc1OCCC1Cc2ccccc2C1
InChIInChI=1S/C23H27NO4/c1-24-14-22(28-15-23(24)25)19-7-8-20(26-2)21(13-19)27-10-9-16-11-17-5-3-4-6-18(17)12-16/h3-8,13,16,22H,9-12,14-15H2,1-2H3
InChIKeyLDKYZXGOFDRHJS-UHFFFAOYSA-N
XLogP3.41
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one?
The IUPAC name of 6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one (CID 70225326) is 6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one.
What is the SMILES notation for 6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one?
The canonical SMILES for 6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one is COc1ccc(C2CN(C)C(=O)CO2)cc1OCCC1Cc2ccccc2C1.
What is the InChIKey of 6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one?
The InChIKey is LDKYZXGOFDRHJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27NO4/c1-24-14-22(28-15-23(24)25)19-7-8-20(26-2)21(13-19)27-10-9-16-11-17-5-3-4-6-18(17)12-16/h3-8,13,16,22H,9-12,14-15H2,1-2H3.
What are the key properties of 6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one?
6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one has a molecular weight of 381.47 g/mol, XLogP of 3.41, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[2-(2,3-dihydro-1H-inden-2-yl)ethoxy]-4-methoxyphenyl]-4-methylmorpholin-3-one is sourced from PubChem (CID 70225326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).