6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one

C25H33NO3 — CID 177159783

IUPAC6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one
SMILESCOc1ccc(C(C)C)cc1OCCC(C)c1ccc2c(c1)N(C)C(=O)C2(C)C
InChIInChI=1S/C25H33NO3/c1-16(2)18-9-11-22(28-7)23(15-18)29-13-12-17(3)19-8-10-20-21(14-19)26(6)24(27)25(20,4)5/h8-11,14-17H,12-13H2,1-7H3
InChIKeyFTZMTWVAYKMAHK-UHFFFAOYSA-N
MW395.54 g/mol
LogP5.65
Rot. Bonds7

About 6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one

6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one (PubChem CID 177159783) has the molecular formula C25H33NO3 and a molecular weight of 395.54 g/mol. Its IUPAC name is 6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one.

Molecular Properties

Compound Name6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one
PubChem CID177159783
Molecular FormulaC25H33NO3
Molecular Weight395.54 g/mol
Exact Mass395.25
IUPAC Name6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one
SMILESCOc1ccc(C(C)C)cc1OCCC(C)c1ccc2c(c1)N(C)C(=O)C2(C)C
InChIInChI=1S/C25H33NO3/c1-16(2)18-9-11-22(28-7)23(15-18)29-13-12-17(3)19-8-10-20-21(14-19)26(6)24(27)25(20,4)5/h8-11,14-17H,12-13H2,1-7H3
InChIKeyFTZMTWVAYKMAHK-UHFFFAOYSA-N
XLogP5.65
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.54
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one with MolForge

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Related Compounds

2-ethoxy-1-methoxy-4-propan-2-ylbenzene
CID 22087689
5,6-dimethoxy-1,3,3-trimethylindol-2-one
CID 82496589
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
3-(3-ethoxy-4-methoxyphenyl)butan-1-amine
CID 116989291
3-(3,4-dimethoxyphenyl)butan-1-amine
CID 3056378
3-(3,4-dimethoxyphenyl)butan-1-amine;hydrochloride
CID 3056377
5-(3,4-dimethoxyphenyl)hexan-2-amine
CID 83928848
4-butan-2-yl-1,2-dimethoxybenzene
CID 54391207
2-[2-(2-methoxyphenoxy)ethoxy]-1-methyl-4-propan-2-ylbenzene
CID 2283991
5-(3-methoxy-4-propoxyphenyl)hexan-2-amine
CID 83938489
2-[2-(3,4-dimethoxyphenyl)ethoxy]-4-propan-2-ylcyclohepta-2,4,6-trien-1-one
CID 57141385
3-(4-methoxy-3-propan-2-ylphenyl)butane-1-thiol
CID 83926790

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one?
The IUPAC name of 6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one (CID 177159783) is 6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one.
What is the SMILES notation for 6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one?
The canonical SMILES for 6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one is COc1ccc(C(C)C)cc1OCCC(C)c1ccc2c(c1)N(C)C(=O)C2(C)C.
What is the InChIKey of 6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one?
The InChIKey is FTZMTWVAYKMAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33NO3/c1-16(2)18-9-11-22(28-7)23(15-18)29-13-12-17(3)19-8-10-20-21(14-19)26(6)24(27)25(20,4)5/h8-11,14-17H,12-13H2,1-7H3.
What are the key properties of 6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one?
6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one has a molecular weight of 395.54 g/mol, XLogP of 5.65, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxy-5-propan-2-ylphenoxy)butan-2-yl]-1,3,3-trimethylindol-2-one is sourced from PubChem (CID 177159783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).