ethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol

C22H26FNO2 — CID 144726570

IUPACethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol
SMILESCC.Cc1nc2cc(OCc3ccc(F)cc3)ccc2cc1C(C)(C)O
InChIInChI=1S/C20H20FNO2.C2H6/c1-13-18(20(2,3)23)10-15-6-9-17(11-19(15)22-13)24-12-14-4-7-16(21)8-5-14;1-2/h4-11,23H,12H2,1-3H3;1-2H3
InChIKeyZQJRAUVTBVBAOH-UHFFFAOYSA-N
MW355.45 g/mol
LogP5.51
Rot. Bonds4

About ethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol

ethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol (PubChem CID 144726570) has the molecular formula C22H26FNO2 and a molecular weight of 355.45 g/mol. Its IUPAC name is ethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol.

Molecular Properties

Compound Nameethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol
PubChem CID144726570
Molecular FormulaC22H26FNO2
Molecular Weight355.45 g/mol
Exact Mass355.19
IUPAC Nameethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol
SMILESCC.Cc1nc2cc(OCc3ccc(F)cc3)ccc2cc1C(C)(C)O
InChIInChI=1S/C20H20FNO2.C2H6/c1-13-18(20(2,3)23)10-15-6-9-17(11-19(15)22-13)24-12-14-4-7-16(21)8-5-14;1-2/h4-11,23H,12H2,1-3H3;1-2H3
InChIKeyZQJRAUVTBVBAOH-UHFFFAOYSA-N
XLogP5.51
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.45
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-fluorophenyl)methoxy]quinoline
CID 60595158
1-fluoro-3-[(4-fluorophenyl)methoxy]-5-methylbenzene
CID 143178239
3-fluoro-5-[(4-fluorophenyl)methoxy]phenol
CID 146557101
2-tert-butyl-6-phenylmethoxyquinoline
CID 20709519
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
5-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117221915
4-[(4-fluorophenoxy)methyl]-2-methylphenol
CID 117220443
6-[(4-fluorophenyl)methoxy]-1,3-benzothiazol-2-amine
CID 17244955
1-[7-[(4-fluorophenyl)methoxy]-1,5-naphthyridin-3-yl]ethanone
CID 90444036
(1R)-1-[2-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanamine
CID 107718259
1-fluoro-4-[(3-methoxyphenoxy)methyl]benzene
CID 59165653
2-fluoro-4-[(4-fluorophenyl)methoxy]benzaldehyde
CID 89250965

Frequently Asked Questions

What is the IUPAC name of ethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol?
The IUPAC name of ethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol (CID 144726570) is ethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol.
What is the SMILES notation for ethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol?
The canonical SMILES for ethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol is CC.Cc1nc2cc(OCc3ccc(F)cc3)ccc2cc1C(C)(C)O.
What is the InChIKey of ethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol?
The InChIKey is ZQJRAUVTBVBAOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO2.C2H6/c1-13-18(20(2,3)23)10-15-6-9-17(11-19(15)22-13)24-12-14-4-7-16(21)8-5-14;1-2/h4-11,23H,12H2,1-3H3;1-2H3.
What are the key properties of ethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol?
ethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol has a molecular weight of 355.45 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[7-[(4-fluorophenyl)methoxy]-2-methylquinolin-3-yl]propan-2-ol is sourced from PubChem (CID 144726570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).