[2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol

C18H16FNO2 — CID 170505269

IUPAC[2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol
SMILESCOc1cc(F)ccc1-c1cc(C)c2cccc(CO)c2n1
InChIInChI=1S/C18H16FNO2/c1-11-8-16(15-7-6-13(19)9-17(15)22-2)20-18-12(10-21)4-3-5-14(11)18/h3-9,21H,10H2,1-2H3
InChIKeyMDCFVFJLFOAYSK-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.85
Rot. Bonds3

About [2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol

[2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol (PubChem CID 170505269) has the molecular formula C18H16FNO2 and a molecular weight of 297.33 g/mol. Its IUPAC name is [2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol.

Molecular Properties

Compound Name[2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol
PubChem CID170505269
Molecular FormulaC18H16FNO2
Molecular Weight297.33 g/mol
Exact Mass297.12
IUPAC Name[2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol
SMILESCOc1cc(F)ccc1-c1cc(C)c2cccc(CO)c2n1
InChIInChI=1S/C18H16FNO2/c1-11-8-16(15-7-6-13(19)9-17(15)22-2)20-18-12(10-21)4-3-5-14(11)18/h3-9,21H,10H2,1-2H3
InChIKeyMDCFVFJLFOAYSK-UHFFFAOYSA-N
XLogP3.85
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol?
The IUPAC name of [2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol (CID 170505269) is [2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol.
What is the SMILES notation for [2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol?
The canonical SMILES for [2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol is COc1cc(F)ccc1-c1cc(C)c2cccc(CO)c2n1.
What is the InChIKey of [2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol?
The InChIKey is MDCFVFJLFOAYSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO2/c1-11-8-16(15-7-6-13(19)9-17(15)22-2)20-18-12(10-21)4-3-5-14(11)18/h3-9,21H,10H2,1-2H3.
What are the key properties of [2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol?
[2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol has a molecular weight of 297.33 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluoro-2-methoxyphenyl)-4-methylquinolin-8-yl]methanol is sourced from PubChem (CID 170505269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).