1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol

C18H16FNO — CID 81198431

IUPAC1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol
SMILESCc1ccc(C(C)(O)c2ccc3ncccc3c2)cc1F
InChIInChI=1S/C18H16FNO/c1-12-5-6-15(11-16(12)19)18(2,21)14-7-8-17-13(10-14)4-3-9-20-17/h3-11,21H,1-2H3
InChIKeyPETXQYDMCFPZRI-UHFFFAOYSA-N
MW281.33 g/mol
LogP3.94
Rot. Bonds2

About 1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol

1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol (PubChem CID 81198431) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol.

Molecular Properties

Compound Name1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol
PubChem CID81198431
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol
SMILESCc1ccc(C(C)(O)c2ccc3ncccc3c2)cc1F
InChIInChI=1S/C18H16FNO/c1-12-5-6-15(11-16(12)19)18(2,21)14-7-8-17-13(10-14)4-3-9-20-17/h3-11,21H,1-2H3
InChIKeyPETXQYDMCFPZRI-UHFFFAOYSA-N
XLogP3.94
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-1-quinolin-6-ylethanol
CID 81216254
1-(2-fluorophenyl)-1-quinolin-6-ylethanol
CID 81215960
4-(1-hydroxy-1-quinolin-6-ylethyl)phenol
CID 83076007
3-(1-hydroxy-1-quinolin-6-ylethyl)benzonitrile
CID 115481316
6-tert-butylquinoline;7-tert-butylquinoline
CID 159076219
2,2,2-trifluoro-1-(2,3,4,5,6-pentafluorophenyl)-1-quinolin-6-ylethanol
CID 2851238
2-quinolin-6-ylheptan-2-ol
CID 81215851
2-fluoro-1-phenyl-2-quinolin-6-ylpropan-1-one
CID 170553040
6-(2-methylsulfonylpropan-2-yl)quinoline
CID 91258076
2-methyl-3-quinolin-6-ylpentan-3-ol
CID 81215889
2-methyl-2-quinolin-6-ylpropanehydrazide
CID 66927115
2,2-difluoro-2-quinolin-6-ylacetamide
CID 175897040

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol?
The IUPAC name of 1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol (CID 81198431) is 1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol.
What is the SMILES notation for 1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol?
The canonical SMILES for 1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol is Cc1ccc(C(C)(O)c2ccc3ncccc3c2)cc1F.
What is the InChIKey of 1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol?
The InChIKey is PETXQYDMCFPZRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-12-5-6-15(11-16(12)19)18(2,21)14-7-8-17-13(10-14)4-3-9-20-17/h3-11,21H,1-2H3.
What are the key properties of 1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol?
1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol has a molecular weight of 281.33 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-4-methylphenyl)-1-quinolin-6-ylethanol is sourced from PubChem (CID 81198431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).