6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol

C20H18F2N2O2 — CID 90930092

IUPAC6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol
SMILESCC(C)n1ccc2cc(-n3cc4ccc(OC(F)F)cc4c3O)ccc21
InChIInChI=1S/C20H18F2N2O2/c1-12(2)23-8-7-13-9-15(4-6-18(13)23)24-11-14-3-5-16(26-20(21)22)10-17(14)19(24)25/h3-12,20,25H,1-2H3
InChIKeyWQKTZHSUWYVSFS-UHFFFAOYSA-N
MW356.37 g/mol
LogP5.47
Rot. Bonds4

About 6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol

6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol (PubChem CID 90930092) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol.

Molecular Properties

Compound Name6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol
PubChem CID90930092
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol
SMILESCC(C)n1ccc2cc(-n3cc4ccc(OC(F)F)cc4c3O)ccc21
InChIInChI=1S/C20H18F2N2O2/c1-12(2)23-8-7-13-9-15(4-6-18(13)23)24-11-14-3-5-16(26-20(21)22)10-17(14)19(24)25/h3-12,20,25H,1-2H3
InChIKeyWQKTZHSUWYVSFS-UHFFFAOYSA-N
XLogP5.47
TPSA39.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.37
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(1-Benzyl-5-methoxy-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 3028929
[1-[(4-Methoxyphenyl)methyl]indol-3-yl]methanol
CID 20109674
[2-(5-Methoxy-1-phenyl-1H-indol-3-yl)-ethyl]-dimethyl-amine
CID 44327972
4-[1-(4-fluorophenyl)indol-3-yl]-N-[2-(3-methoxyphenyl)ethyl]-N-methylbutan-1-amine
CID 118720772
3-Ethyl-9-methoxy-7-phenylpyrrolo[3,2-f]quinoline
CID 122192617
[1-[(2,4-Difluorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967130
[3-(6-Methoxypyridin-3-yl)-5-(trifluoromethoxy)-1-[[3-(trifluoromethyl)phenyl]methyl]indol-2-yl]methanol
CID 118967132
(1-(3-methoxybenzyl)-3-(6-methoxypyridin-3-yl)-5-(trifluoromethyl)-1H-indol-2-yl)methanol
CID 118953471
[1-[(2-Fluorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967088
[1-Benzyl-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967102
[1-[(3-Fluorophenyl)methyl]-3-(6-methoxypyridin-3-yl)-5-(trifluoromethoxy)indol-2-yl]methanol
CID 118967104
3-[4-(5,6-Dimethoxy-1,3-dihydroisoindol-2-yl)butyl]-1-(4-fluorophenyl)indole
CID 127038823

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol?
The IUPAC name of 6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol (CID 90930092) is 6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol.
What is the SMILES notation for 6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol?
The canonical SMILES for 6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol is CC(C)n1ccc2cc(-n3cc4ccc(OC(F)F)cc4c3O)ccc21.
What is the InChIKey of 6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol?
The InChIKey is WQKTZHSUWYVSFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-12(2)23-8-7-13-9-15(4-6-18(13)23)24-11-14-3-5-16(26-20(21)22)10-17(14)19(24)25/h3-12,20,25H,1-2H3.
What are the key properties of 6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol?
6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol has a molecular weight of 356.37 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-2-(1-propan-2-ylindol-5-yl)isoindol-1-ol is sourced from PubChem (CID 90930092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).