(1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol

C17H14FNO2 — CID 107387503

IUPAC(1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol
SMILESC[C@H](O)c1ccc(Oc2cnc3ccccc3c2)c(F)c1
InChIInChI=1S/C17H14FNO2/c1-11(20)12-6-7-17(15(18)9-12)21-14-8-13-4-2-3-5-16(13)19-10-14/h2-11,20H,1H3/t11-/m0/s1
InChIKeyHLRLGMJUSSSUIL-NSHDSACASA-N
MW283.30 g/mol
LogP4.22
Rot. Bonds3

About (1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol

(1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol (PubChem CID 107387503) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is (1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol.

Molecular Properties

Compound Name(1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol
PubChem CID107387503
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name(1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol
SMILESC[C@H](O)c1ccc(Oc2cnc3ccccc3c2)c(F)c1
InChIInChI=1S/C17H14FNO2/c1-11(20)12-6-7-17(15(18)9-12)21-14-8-13-4-2-3-5-16(13)19-10-14/h2-11,20H,1H3/t11-/m0/s1
InChIKeyHLRLGMJUSSSUIL-NSHDSACASA-N
XLogP4.22
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-1-(5-fluoro-2-quinolin-3-yloxyphenyl)ethanol
CID 107387519
(1R)-1-[3-fluoro-4-(2-fluorophenoxy)phenyl]ethanol
CID 78941573
(1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine
CID 107387284
(1R)-1-[4-(4-butan-2-ylphenoxy)-3-fluorophenyl]ethanol
CID 107665857
1-[4-(3-ethoxyphenoxy)-3-fluorophenyl]ethanol
CID 62336899
1-(2-fluoro-6-quinolin-3-yloxyphenyl)ethanone
CID 107387266
(1R)-1-[4-(3-bromophenoxy)-3-fluorophenyl]ethanol
CID 78941612
(1S)-1-[3-fluoro-4-(3-fluoro-4-methylphenoxy)phenyl]ethanol
CID 107169699
(1S)-1-[4-(4-tert-butylphenoxy)-3-fluorophenyl]ethanol
CID 78944719
1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 43506531
(1S)-1-[3-fluoro-4-(2-propan-2-ylphenoxy)phenyl]ethanol
CID 78941700
1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol
CID 107387496

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol?
The IUPAC name of (1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol (CID 107387503) is (1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol.
What is the SMILES notation for (1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol?
The canonical SMILES for (1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol is C[C@H](O)c1ccc(Oc2cnc3ccccc3c2)c(F)c1.
What is the InChIKey of (1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol?
The InChIKey is HLRLGMJUSSSUIL-NSHDSACASA-N. The full InChI is InChI=1S/C17H14FNO2/c1-11(20)12-6-7-17(15(18)9-12)21-14-8-13-4-2-3-5-16(13)19-10-14/h2-11,20H,1H3/t11-/m0/s1.
What are the key properties of (1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol?
(1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol has a molecular weight of 283.30 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol is sourced from PubChem (CID 107387503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).