2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol

C16H13ClFNO — CID 90687564

IUPAC2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
SMILESCc1cc(F)cc2cn(Cc3ccc(Cl)cc3)c(O)c12
InChIInChI=1S/C16H13ClFNO/c1-10-6-14(18)7-12-9-19(16(20)15(10)12)8-11-2-4-13(17)5-3-11/h2-7,9,20H,8H2,1H3
InChIKeyLYUQDUNKOCQPHI-UHFFFAOYSA-N
MW289.74 g/mol
LogP4.50
Rot. Bonds2

About 2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol

2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol (PubChem CID 90687564) has the molecular formula C16H13ClFNO and a molecular weight of 289.74 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol.

Molecular Properties

Compound Name2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
PubChem CID90687564
Molecular FormulaC16H13ClFNO
Molecular Weight289.74 g/mol
Exact Mass289.07
IUPAC Name2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol
SMILESCc1cc(F)cc2cn(Cc3ccc(Cl)cc3)c(O)c12
InChIInChI=1S/C16H13ClFNO/c1-10-6-14(18)7-12-9-19(16(20)15(10)12)8-11-2-4-13(17)5-3-11/h2-7,9,20H,8H2,1H3
InChIKeyLYUQDUNKOCQPHI-UHFFFAOYSA-N
XLogP4.50
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[[1-[(4-Chlorophenyl)methyl]indol-3-yl]methyl]-2,6-dimethylphenol
CID 172449012
7-Chloro-2-[(4-fluorophenyl)methyl]-5-(piperidin-4-ylmethyl)isoindol-1-ol
CID 90700186
5-Chloro-2-[[4-(trifluoromethoxy)phenyl]methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90703191
6-Fluoro-2-[(4-fluorophenyl)methyl]-7-methylisoindol-1-ol
CID 90705871
7-Chloro-2-[(4-fluorophenyl)methyl]-5-[(1-methylpiperidin-4-yl)methyl]isoindol-1-ol
CID 90719863
2-[(4-Fluorophenyl)methyl]-7-iodoisoindol-1-ol
CID 90733817
5-Chloro-2-[(4-fluorophenyl)methyl]-7-(trifluoromethyl)isoindol-1-ol
CID 90735585
2-[(4-Chlorophenyl)methyl]-6-fluoro-3-hydroxyisoindole-4-carbonitrile
CID 90740610
5-bromo-2-[(1R)-1-(4-fluorophenyl)ethyl]-7-methylisoindol-1-ol
CID 90761158
7-Chloro-2-[(4,4-difluorocyclohexyl)methyl]-1-hydroxyisoindole-5-carbonitrile
CID 90765142
2-[[4-(Trifluoromethyl)phenyl]methyl]isoindol-1-ol
CID 90773222
2-[3-(2,4-Difluorophenyl)propyl]isoindol-1-ol
CID 90794714

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol?
The IUPAC name of 2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol (CID 90687564) is 2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol.
What is the SMILES notation for 2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol?
The canonical SMILES for 2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol is Cc1cc(F)cc2cn(Cc3ccc(Cl)cc3)c(O)c12.
What is the InChIKey of 2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol?
The InChIKey is LYUQDUNKOCQPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFNO/c1-10-6-14(18)7-12-9-19(16(20)15(10)12)8-11-2-4-13(17)5-3-11/h2-7,9,20H,8H2,1H3.
What are the key properties of 2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol?
2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol has a molecular weight of 289.74 g/mol, XLogP of 4.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)methyl]-5-fluoro-7-methylisoindol-1-ol is sourced from PubChem (CID 90687564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).