3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol

C24H18F3NO — CID 66913968

IUPAC3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol
SMILESCCc1ccccc1-c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1
InChIInChI=1S/C24H18F3NO/c1-2-15-7-3-4-10-18(15)20-14-28-23-19(11-6-12-21(23)24(25,26)27)22(20)16-8-5-9-17(29)13-16/h3-14,29H,2H2,1H3
InChIKeyIVLDPFDQDUCELZ-UHFFFAOYSA-N
MW393.41 g/mol
LogP6.86
Rot. Bonds3

About 3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol

3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol (PubChem CID 66913968) has the molecular formula C24H18F3NO and a molecular weight of 393.41 g/mol. Its IUPAC name is 3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol.

Molecular Properties

Compound Name3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol
PubChem CID66913968
Molecular FormulaC24H18F3NO
Molecular Weight393.41 g/mol
Exact Mass393.13
IUPAC Name3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol
SMILESCCc1ccccc1-c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1
InChIInChI=1S/C24H18F3NO/c1-2-15-7-3-4-10-18(15)20-14-28-23-19(11-6-12-21(23)24(25,26)27)22(20)16-8-5-9-17(29)13-16/h3-14,29H,2H2,1H3
InChIKeyIVLDPFDQDUCELZ-UHFFFAOYSA-N
XLogP6.86
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.41
LogP ≤ 56.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol?
The IUPAC name of 3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol (CID 66913968) is 3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol.
What is the SMILES notation for 3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol?
The canonical SMILES for 3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol is CCc1ccccc1-c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1.
What is the InChIKey of 3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol?
The InChIKey is IVLDPFDQDUCELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO/c1-2-15-7-3-4-10-18(15)20-14-28-23-19(11-6-12-21(23)24(25,26)27)22(20)16-8-5-9-17(29)13-16/h3-14,29H,2H2,1H3.
What are the key properties of 3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol?
3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol has a molecular weight of 393.41 g/mol, XLogP of 6.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-ethylphenyl)-8-(trifluoromethyl)quinolin-4-yl]phenol is sourced from PubChem (CID 66913968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).