5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol

C16H11Cl2F2NO2 — CID 90781008

IUPAC5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESOc1c2c(Cl)cc(Cl)cc2cn1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H11Cl2F2NO2/c17-11-5-10-8-21(15(22)14(10)13(18)6-11)7-9-1-3-12(4-2-9)23-16(19)20/h1-6,8,16,22H,7H2
InChIKeySCFMCXAMUGITMR-UHFFFAOYSA-N
MW358.17 g/mol
LogP5.30
Rot. Bonds4

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

5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol (PubChem CID 90781008) has the molecular formula C16H11Cl2F2NO2 and a molecular weight of 358.17 g/mol. Its IUPAC name is 5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol.

Molecular Properties

Compound Name5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol
PubChem CID90781008
Molecular FormulaC16H11Cl2F2NO2
Molecular Weight358.17 g/mol
Exact Mass357.01
IUPAC Name5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol
SMILESOc1c2c(Cl)cc(Cl)cc2cn1Cc1ccc(OC(F)F)cc1
InChIInChI=1S/C16H11Cl2F2NO2/c17-11-5-10-8-21(15(22)14(10)13(18)6-11)7-9-1-3-12(4-2-9)23-16(19)20/h1-6,8,16,22H,7H2
InChIKeySCFMCXAMUGITMR-UHFFFAOYSA-N
XLogP5.30
TPSA34.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.17
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
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
2-[[4-(2,2-Difluoroethoxy)phenyl]methyl]-5-fluoro-7-(trifluoromethyl)isoindol-1-ol
CID 90791787
4-[[4-[[7-Chloro-1-hydroxy-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-5-yl]methyl]piperazin-1-yl]methyl]benzonitrile
CID 90795045
2-[[4-[4-(Trifluoromethyl)phenoxy]phenyl]methyl]isoindol-1-ol
CID 90821580
5-Fluoro-7-methyl-2-[1-[4-(trifluoromethoxy)phenyl]ethyl]isoindol-1-ol
CID 90823715
7-Chloro-5-(piperidin-4-ylmethyl)-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90835369
2-[[4-(4-Fluorophenoxy)phenyl]methyl]isoindol-1-ol
CID 90844794
7-Chloro-5-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]methyl]-2-[[4-(trifluoromethoxy)phenyl]methyl]isoindol-1-ol
CID 90869001

Frequently Asked Questions

What is the IUPAC name of 5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol?
The IUPAC name of 5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol (CID 90781008) is 5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol.
What is the SMILES notation for 5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol?
The canonical SMILES for 5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol is Oc1c2c(Cl)cc(Cl)cc2cn1Cc1ccc(OC(F)F)cc1.
What is the InChIKey of 5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol?
The InChIKey is SCFMCXAMUGITMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2F2NO2/c17-11-5-10-8-21(15(22)14(10)13(18)6-11)7-9-1-3-12(4-2-9)23-16(19)20/h1-6,8,16,22H,7H2.
What are the key properties of 5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol?
5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol has a molecular weight of 358.17 g/mol, XLogP of 5.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dichloro-2-[[4-(difluoromethoxy)phenyl]methyl]isoindol-1-ol is sourced from PubChem (CID 90781008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).