5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

C18H16F3NO4 — CID 90893382

IUPAC5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCOc1cc(OC)c2c(O)n(Cc3ccc(OC(F)(F)F)cc3)cc2c1
InChIInChI=1S/C18H16F3NO4/c1-24-14-7-12-10-22(17(23)16(12)15(8-14)25-2)9-11-3-5-13(6-4-11)26-18(19,20)21/h3-8,10,23H,9H2,1-2H3
InChIKeyCLOYKUUITITXEB-UHFFFAOYSA-N
MW367.32 g/mol
LogP4.31
Rot. Bonds5

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

5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 90893382) has the molecular formula C18H16F3NO4 and a molecular weight of 367.32 g/mol. Its IUPAC name is 5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID90893382
Molecular FormulaC18H16F3NO4
Molecular Weight367.32 g/mol
Exact Mass367.10
IUPAC Name5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESCOc1cc(OC)c2c(O)n(Cc3ccc(OC(F)(F)F)cc3)cc2c1
InChIInChI=1S/C18H16F3NO4/c1-24-14-7-12-10-22(17(23)16(12)15(8-14)25-2)9-11-3-5-13(6-4-11)26-18(19,20)21/h3-8,10,23H,9H2,1-2H3
InChIKeyCLOYKUUITITXEB-UHFFFAOYSA-N
XLogP4.31
TPSA52.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.32
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(3,4-Dihydroxyphenyl)-1-[(3,4,5-trimethoxyphenyl)methyl]pyrrol-3-yl]benzene-1,2-diol
CID 137635456
4-[1-[(2,4-Dimethoxyphenyl)methyl]-4-(4-hydroxyphenyl)pyrrol-3-yl]phenol
CID 137639019
4-[4-(4-Hydroxyphenyl)-1-[(2,3,4-trimethoxyphenyl)methyl]pyrrol-3-yl]phenol
CID 137638147
4-[[3,4-Bis(3,4,5-trimethoxyphenyl)pyrrol-1-yl]methyl]phenol
CID 137644160
4-[[3,4-Bis(3,4,5-trimethoxyphenyl)pyrrol-1-yl]methyl]benzene-1,2-diol
CID 137651489
5-[(1-Ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90686906
7-Methyl-5-(pyridin-4-ylmethoxy)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90690987
Tert-butyl 4-[[1-hydroxy-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-5-yl]oxymethyl]piperidine-1-carboxylate
CID 90698565
5-Methoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90710239
7-Methyl-5-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90714114
7-Methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90724446
7-Methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90770150

Frequently Asked Questions

What is the IUPAC name of 5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 90893382) is 5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is COc1cc(OC)c2c(O)n(Cc3ccc(OC(F)(F)F)cc3)cc2c1.
What is the InChIKey of 5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is CLOYKUUITITXEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3NO4/c1-24-14-7-12-10-22(17(23)16(12)15(8-14)25-2)9-11-3-5-13(6-4-11)26-18(19,20)21/h3-8,10,23H,9H2,1-2H3.
What are the key properties of 5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 367.32 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethoxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90893382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).