(3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol

C16H11F2NO2 — CID 107387514

IUPAC(3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol
SMILESOCc1cc(F)c(Oc2cnc3ccccc3c2)c(F)c1
InChIInChI=1S/C16H11F2NO2/c17-13-5-10(9-20)6-14(18)16(13)21-12-7-11-3-1-2-4-15(11)19-8-12/h1-8,20H,9H2
InChIKeyIGHZNDDFBYIIHY-UHFFFAOYSA-N
MW287.27 g/mol
LogP3.80
Rot. Bonds3

About (3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol

(3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol (PubChem CID 107387514) has the molecular formula C16H11F2NO2 and a molecular weight of 287.27 g/mol. Its IUPAC name is (3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol.

Molecular Properties

Compound Name(3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol
PubChem CID107387514
Molecular FormulaC16H11F2NO2
Molecular Weight287.27 g/mol
Exact Mass287.08
IUPAC Name(3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol
SMILESOCc1cc(F)c(Oc2cnc3ccccc3c2)c(F)c1
InChIInChI=1S/C16H11F2NO2/c17-13-5-10(9-20)6-14(18)16(13)21-12-7-11-3-1-2-4-15(11)19-8-12/h1-8,20H,9H2
InChIKeyIGHZNDDFBYIIHY-UHFFFAOYSA-N
XLogP3.80
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,5-difluoro-4-quinolin-3-yloxybenzonitrile
CID 107387129
2-quinolin-3-yloxyethanol
CID 102847036
(4-chloro-2-quinolin-3-yloxy-1,3-thiazol-5-yl)methanol
CID 107387544
2-(4-quinolin-3-yloxyphenyl)ethanamine
CID 107388035
[4-[(5-chloro-3-pyridinyl)oxy]-3,5-difluorophenyl]methanol
CID 64600418
3-[4-(bromomethyl)phenoxy]quinoline
CID 107387563
(5-chloro-2-quinolin-3-yloxy-4-pyridinyl)methanol
CID 107387669
(2-quinolin-3-yloxypyrimidin-5-yl)methanamine
CID 107387604
2-quinolin-3-yloxyethanamine
CID 84661473
(1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol
CID 107387503
1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone
CID 107387266
3-(bromomethoxy)quinoline
CID 54277099

Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol?
The IUPAC name of (3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol (CID 107387514) is (3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol.
What is the SMILES notation for (3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol?
The canonical SMILES for (3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol is OCc1cc(F)c(Oc2cnc3ccccc3c2)c(F)c1.
What is the InChIKey of (3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol?
The InChIKey is IGHZNDDFBYIIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO2/c17-13-5-10(9-20)6-14(18)16(13)21-12-7-11-3-1-2-4-15(11)19-8-12/h1-8,20H,9H2.
What are the key properties of (3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol?
(3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol has a molecular weight of 287.27 g/mol, XLogP of 3.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-4-quinolin-3-yloxyphenyl)methanol is sourced from PubChem (CID 107387514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).