1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol

C17H13ClFNO — CID 114454142

IUPAC1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol
SMILESOC(Cc1ccnc2ccccc12)c1cc(F)cc(Cl)c1
InChIInChI=1S/C17H13ClFNO/c18-13-7-12(8-14(19)10-13)17(21)9-11-5-6-20-16-4-2-1-3-15(11)16/h1-8,10,17,21H,9H2
InChIKeyCJVDDTLDAQJIMY-UHFFFAOYSA-N
MW301.75 g/mol
LogP4.30
Rot. Bonds3

About 1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol

1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol (PubChem CID 114454142) has the molecular formula C17H13ClFNO and a molecular weight of 301.75 g/mol. Its IUPAC name is 1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol.

Molecular Properties

Compound Name1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol
PubChem CID114454142
Molecular FormulaC17H13ClFNO
Molecular Weight301.75 g/mol
Exact Mass301.07
IUPAC Name1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol
SMILESOC(Cc1ccnc2ccccc12)c1cc(F)cc(Cl)c1
InChIInChI=1S/C17H13ClFNO/c18-13-7-12(8-14(19)10-13)17(21)9-11-5-6-20-16-4-2-1-3-15(11)16/h1-8,10,17,21H,9H2
InChIKeyCJVDDTLDAQJIMY-UHFFFAOYSA-N
XLogP4.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.75
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethanol
CID 105107049
1-(3-chloro-5-fluorophenyl)-2-(2-fluorophenyl)ethanol
CID 114454010
1-(3,5-dichlorophenyl)-2-quinolin-4-ylethanamine
CID 104997404
1-(2-chloro-3-fluorophenyl)-2-quinolin-4-ylethanol
CID 115812471
1-(4-nitrophenyl)-2-quinolin-4-ylethanol
CID 117066360
[1-(5-fluoro-3-pyridinyl)-2-quinolin-4-ylethyl]hydrazine
CID 105316387
1-(6-methoxy-3-pyridinyl)-2-quinolin-4-ylethanol
CID 114937830
2,6-dichloro-4-fluoro-N-(quinolin-4-ylmethyl)aniline
CID 83078319
1-(3-chloro-5-fluorophenyl)-2-[4-(trifluoromethyl)phenyl]ethanol
CID 114454050
1-cyclopropyl-2-quinolin-4-ylethanol
CID 63353390
2-(2-methylphenyl)-1-quinolin-4-ylethanol
CID 63893794
3-quinolin-4-ylpropan-1-ol
CID 21218471

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol?
The IUPAC name of 1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol (CID 114454142) is 1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol.
What is the SMILES notation for 1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol?
The canonical SMILES for 1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol is OC(Cc1ccnc2ccccc12)c1cc(F)cc(Cl)c1.
What is the InChIKey of 1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol?
The InChIKey is CJVDDTLDAQJIMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO/c18-13-7-12(8-14(19)10-13)17(21)9-11-5-6-20-16-4-2-1-3-15(11)16/h1-8,10,17,21H,9H2.
What are the key properties of 1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol?
1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol has a molecular weight of 301.75 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5-fluorophenyl)-2-quinolin-4-ylethanol is sourced from PubChem (CID 114454142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).