1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol

C17H14ClNO2 — CID 107387496

IUPAC1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol
SMILESCC(O)c1ccc(Oc2cnc3ccccc3c2)cc1Cl
InChIInChI=1S/C17H14ClNO2/c1-11(20)15-7-6-13(9-16(15)18)21-14-8-12-4-2-3-5-17(12)19-10-14/h2-11,20H,1H3
InChIKeyNDMOUOWJAGIJMA-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.73
Rot. Bonds3

About 1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol

1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol (PubChem CID 107387496) has the molecular formula C17H14ClNO2 and a molecular weight of 299.76 g/mol. Its IUPAC name is 1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol.

Molecular Properties

Compound Name1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol
PubChem CID107387496
Molecular FormulaC17H14ClNO2
Molecular Weight299.76 g/mol
Exact Mass299.07
IUPAC Name1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol
SMILESCC(O)c1ccc(Oc2cnc3ccccc3c2)cc1Cl
InChIInChI=1S/C17H14ClNO2/c1-11(20)15-7-6-13(9-16(15)18)21-14-8-12-4-2-3-5-17(12)19-10-14/h2-11,20H,1H3
InChIKeyNDMOUOWJAGIJMA-UHFFFAOYSA-N
XLogP4.73
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-chloro-4-quinolin-3-yloxyphenyl)methanamine
CID 107386840
(1R)-1-(5-fluoro-2-quinolin-3-yloxyphenyl)ethanol
CID 107387519
(1R)-1-(5-quinolin-3-yloxy-2-pyridinyl)propan-1-ol
CID 107387500
N-chloro-4-quinolin-3-yloxyaniline
CID 18511535
(5-chloro-2-quinolin-3-yloxy-4-pyridinyl)methanol
CID 107387669
3-[[5-chloro-4-(chloromethyl)-2-pyridinyl]oxy]quinoline
CID 107387690
(1R)-1-(3-chloro-4-quinolin-3-yloxyphenyl)ethanamine
CID 107387284
(1S)-1-(3-fluoro-4-quinolin-3-yloxyphenyl)ethanol
CID 107387503
1-(2-amino-4-quinolin-3-yloxyphenyl)ethanone
CID 107386877
1-[2-(3,4-dichlorophenoxy)phenyl]ethanol
CID 54898383
4-quinolin-3-yloxybenzenesulfinic acid
CID 57445519
4-quinolin-3-yloxybenzenecarbothioamide
CID 107387175

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol?
The IUPAC name of 1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol (CID 107387496) is 1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol.
What is the SMILES notation for 1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol?
The canonical SMILES for 1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol is CC(O)c1ccc(Oc2cnc3ccccc3c2)cc1Cl.
What is the InChIKey of 1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol?
The InChIKey is NDMOUOWJAGIJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClNO2/c1-11(20)15-7-6-13(9-16(15)18)21-14-8-12-4-2-3-5-17(12)19-10-14/h2-11,20H,1H3.
What are the key properties of 1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol?
1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol has a molecular weight of 299.76 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-quinolin-3-yloxyphenyl)ethanol is sourced from PubChem (CID 107387496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).