2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol

C18H14F2N2O2 — CID 90919463

IUPAC2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol
SMILESCOc1ccc2cn(-c3ccc4c(ccn4C(F)F)c3)c(O)c2c1
InChIInChI=1S/C18H14F2N2O2/c1-24-14-4-2-12-10-22(17(23)15(12)9-14)13-3-5-16-11(8-13)6-7-21(16)18(19)20/h2-10,18,23H,1H3
InChIKeyZGIKDHXFYUBZGQ-UHFFFAOYSA-N
MW328.32 g/mol
LogP4.69
Rot. Bonds3

About 2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol

2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol (PubChem CID 90919463) has the molecular formula C18H14F2N2O2 and a molecular weight of 328.32 g/mol. Its IUPAC name is 2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol.

Molecular Properties

Compound Name2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol
PubChem CID90919463
Molecular FormulaC18H14F2N2O2
Molecular Weight328.32 g/mol
Exact Mass328.10
IUPAC Name2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol
SMILESCOc1ccc2cn(-c3ccc4c(ccn4C(F)F)c3)c(O)c2c1
InChIInChI=1S/C18H14F2N2O2/c1-24-14-4-2-12-10-22(17(23)15(12)9-14)13-3-5-16-11(8-13)6-7-21(16)18(19)20/h2-10,18,23H,1H3
InChIKeyZGIKDHXFYUBZGQ-UHFFFAOYSA-N
XLogP4.69
TPSA39.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 54.69
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
5-methoxy-3-[2,2,2-trifluoro-1-(1H-indol-3-yl)ethyl]-1H-indole
CID 78320889
[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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol?
The IUPAC name of 2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol (CID 90919463) is 2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol.
What is the SMILES notation for 2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol?
The canonical SMILES for 2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol is COc1ccc2cn(-c3ccc4c(ccn4C(F)F)c3)c(O)c2c1.
What is the InChIKey of 2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol?
The InChIKey is ZGIKDHXFYUBZGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F2N2O2/c1-24-14-4-2-12-10-22(17(23)15(12)9-14)13-3-5-16-11(8-13)6-7-21(16)18(19)20/h2-10,18,23H,1H3.
What are the key properties of 2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol?
2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol has a molecular weight of 328.32 g/mol, XLogP of 4.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(difluoromethyl)indol-5-yl]-6-methoxyisoindol-1-ol is sourced from PubChem (CID 90919463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).