7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

C16H11ClF3NO2 — CID 91483928

IUPAC7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESOc1c2c(Cl)cccc2cn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11ClF3NO2/c17-13-3-1-2-11-9-21(15(22)14(11)13)8-10-4-6-12(7-5-10)23-16(18,19)20/h1-7,9,22H,8H2
InChIKeyZCVITAVJMBGYQP-UHFFFAOYSA-N
MW341.72 g/mol
LogP4.95
Rot. Bonds3

About 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol

7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 91483928) has the molecular formula C16H11ClF3NO2 and a molecular weight of 341.72 g/mol. Its IUPAC name is 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID91483928
Molecular FormulaC16H11ClF3NO2
Molecular Weight341.72 g/mol
Exact Mass341.04
IUPAC Name7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESOc1c2c(Cl)cccc2cn1Cc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C16H11ClF3NO2/c17-13-3-1-2-11-9-21(15(22)14(11)13)8-10-4-6-12(7-5-10)23-16(18,19)20/h1-7,9,22H,8H2
InChIKeyZCVITAVJMBGYQP-UHFFFAOYSA-N
XLogP4.95
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.72
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(1-Ethylpiperidin-4-yl)methyl]-7-methyl-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90686906
2-[3-[4-(4-Fluorophenoxy)phenyl]propyl]-7-iodoisoindol-1-ol
CID 90701761
5-Chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90703191
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
2-[4-[7-Chloro-1-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-5-yl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 90715265
7-Methyl-5-[(4-methylpiperazin-1-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90724446
5-Chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90735585
7-Chloro-5-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90754498
7-Chloro-6-fluoro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90762498
7-Methyl-5-[(1-methylpiperidin-4-yl)methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90770150
5,7-Dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90781008

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 91483928) is 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is Oc1c2c(Cl)cccc2cn1Cc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is ZCVITAVJMBGYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO2/c17-13-3-1-2-11-9-21(15(22)14(11)13)8-10-4-6-12(7-5-10)23-16(18,19)20/h1-7,9,22H,8H2.
What are the key properties of 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol?
7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 341.72 g/mol, XLogP of 4.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 91483928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).