5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol

C18H13F6NO3 — CID 90710239

IUPAC5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
SMILESCOc1cc(C(F)(F)F)c2c(O)n(Cc3ccc(OC(F)(F)F)cc3)cc2c1
InChIInChI=1S/C18H13F6NO3/c1-27-13-6-11-9-25(16(26)15(11)14(7-13)17(19,20)21)8-10-2-4-12(5-3-10)28-18(22,23)24/h2-7,9,26H,8H2,1H3
InChIKeySGFPPVPGDJGTEH-UHFFFAOYSA-N
MW405.29 g/mol
LogP5.32
Rot. Bonds4

About 5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol

5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol (PubChem CID 90710239) has the molecular formula C18H13F6NO3 and a molecular weight of 405.29 g/mol. Its IUPAC name is 5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol.

Molecular Properties

Compound Name5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
PubChem CID90710239
Molecular FormulaC18H13F6NO3
Molecular Weight405.29 g/mol
Exact Mass405.08
IUPAC Name5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
SMILESCOc1cc(C(F)(F)F)c2c(O)n(Cc3ccc(OC(F)(F)F)cc3)cc2c1
InChIInChI=1S/C18H13F6NO3/c1-27-13-6-11-9-25(16(26)15(11)14(7-13)17(19,20)21)8-10-2-4-12(5-3-10)28-18(22,23)24/h2-7,9,26H,8H2,1H3
InChIKeySGFPPVPGDJGTEH-UHFFFAOYSA-N
XLogP5.32
TPSA43.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.29
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3,4-Bis(4-methoxyphenyl)pyrrol-1-yl]methyl]phenol
CID 137653346
4-[4-(4-Hydroxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrrol-3-yl]phenol
CID 137655011
4-[4-(4-Hydroxyphenyl)-1-[(3-methoxyphenyl)methyl]pyrrol-3-yl]phenol
CID 137656591
(2S)-1,1,1,3,3-pentafluoro-2-(1-methyl-5-phenylmethoxyindol-3-yl)propan-2-ol
CID 139051019
4-(4-fluorophenyl)-6-methoxy-9-methyl-2H-benzo[f]isoindol-1-ol
CID 53644487
6-methoxy-4-[4-(trifluoromethoxy)phenyl]-2H-benzo[f]isoindol-1-ol
CID 54194048
6-methoxy-4-[4-(trifluoromethyl)phenyl]-2H-benzo[f]isoindol-1-ol
CID 54479502
4-(4-fluorophenyl)-6-methoxy-2H-benzo[f]isoindol-1-ol
CID 54503099
1,6-Dimethoxy-4-(trifluoromethyl)isoquinoline
CID 71005265
1-Methoxy-4-(3-(trifluoromethyl)phenyl)isoquinolin-5-ol
CID 71375615
3-(2-(Difluoromethoxy)-5-methylpyridin-3-yl)phenol
CID 90415202
5-[(1-Ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90686906

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol?
The IUPAC name of 5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol (CID 90710239) is 5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol.
What is the SMILES notation for 5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol?
The canonical SMILES for 5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol is COc1cc(C(F)(F)F)c2c(O)n(Cc3ccc(OC(F)(F)F)cc3)cc2c1.
What is the InChIKey of 5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol?
The InChIKey is SGFPPVPGDJGTEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F6NO3/c1-27-13-6-11-9-25(16(26)15(11)14(7-13)17(19,20)21)8-10-2-4-12(5-3-10)28-18(22,23)24/h2-7,9,26H,8H2,1H3.
What are the key properties of 5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol?
5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol has a molecular weight of 405.29 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol is sourced from PubChem (CID 90710239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).