(4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol

C17H13BrFNO — CID 81432205

IUPAC(4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol
SMILESCc1ccc2cc(C(O)c3ccc(Br)c(F)c3)ccc2n1
InChIInChI=1S/C17H13BrFNO/c1-10-2-3-11-8-12(5-7-16(11)20-10)17(21)13-4-6-14(18)15(19)9-13/h2-9,17,21H,1H3
InChIKeyTYYOWLLVBJFODS-UHFFFAOYSA-N
MW346.20 g/mol
LogP4.53
Rot. Bonds2

About (4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol

(4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol (PubChem CID 81432205) has the molecular formula C17H13BrFNO and a molecular weight of 346.20 g/mol. Its IUPAC name is (4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol.

Molecular Properties

Compound Name(4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol
PubChem CID81432205
Molecular FormulaC17H13BrFNO
Molecular Weight346.20 g/mol
Exact Mass345.02
IUPAC Name(4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol
SMILESCc1ccc2cc(C(O)c3ccc(Br)c(F)c3)ccc2n1
InChIInChI=1S/C17H13BrFNO/c1-10-2-3-11-8-12(5-7-16(11)20-10)17(21)13-4-6-14(18)15(19)9-13/h2-9,17,21H,1H3
InChIKeyTYYOWLLVBJFODS-UHFFFAOYSA-N
XLogP4.53
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.20
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl-[2-(trifluoromethyl)quinolin-4-yl]methanol
CID 18511481
1-(4-Fluorophenyl)-2-quinolin-2-ylethanol
CID 44346580
(2-Methylquinolin-6-yl)methanol
CID 2795481
(2-Cyclopropyl-4-(4-fluorophenyl)quinolin-3-yl)methanol
CID 9817555
alpha-Phenylquinoline-2-ethanol
CID 12857976
[4,6-Dibromo-2-(trifluoromethyl)quinolin-3-yl]-phenylmethanol
CID 71602437
1-[4-(Dimethylamino)phenyl]-2-quinolin-2-ylethanol
CID 315404
3-(4-Bromophenyl)-5-(2-chloroquinolin-3-yl)-4,5-dihydro-1,2-oxazole
CID 70693217
1-(3-Bromo-2-phenylquinolin-4-yl)-2-(dibutylamino)ethanol
CID 90669690
2-(Azepan-1-yl)-1-(8-methyl-2-phenylquinolin-6-yl)ethanol
CID 90669716
(2-Fluoro-5-quinolin-2-ylphenyl)methanol
CID 50961035
2-Bromo-1-(2-phenylquinolin-4-yl)ethanol
CID 237403

Frequently Asked Questions

What is the IUPAC name of (4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol?
The IUPAC name of (4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol (CID 81432205) is (4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol.
What is the SMILES notation for (4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol?
The canonical SMILES for (4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol is Cc1ccc2cc(C(O)c3ccc(Br)c(F)c3)ccc2n1.
What is the InChIKey of (4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol?
The InChIKey is TYYOWLLVBJFODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrFNO/c1-10-2-3-11-8-12(5-7-16(11)20-10)17(21)13-4-6-14(18)15(19)9-13/h2-9,17,21H,1H3.
What are the key properties of (4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol?
(4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol has a molecular weight of 346.20 g/mol, XLogP of 4.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-3-fluorophenyl)-(2-methylquinolin-6-yl)methanol is sourced from PubChem (CID 81432205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).