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

C24H18F3NO — CID 174504808

IUPAC2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol
SMILESOc1ccccc1Cc1c(Cc2ccccc2)cnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C24H18F3NO/c25-24(26,27)21-11-6-10-19-20(14-17-9-4-5-12-22(17)29)18(15-28-23(19)21)13-16-7-2-1-3-8-16/h1-12,15,29H,13-14H2
InChIKeyQVQJJAUCMINTDS-UHFFFAOYSA-N
MW393.41 g/mol
LogP6.14
Rot. Bonds4

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

2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol (PubChem CID 174504808) has the molecular formula C24H18F3NO and a molecular weight of 393.41 g/mol. Its IUPAC name is 2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol.

Molecular Properties

Compound Name2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol
PubChem CID174504808
Molecular FormulaC24H18F3NO
Molecular Weight393.41 g/mol
Exact Mass393.13
IUPAC Name2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol
SMILESOc1ccccc1Cc1c(Cc2ccccc2)cnc2c(C(F)(F)F)cccc12
InChIInChI=1S/C24H18F3NO/c25-24(26,27)21-11-6-10-19-20(14-17-9-4-5-12-22(17)29)18(15-28-23(19)21)13-16-7-2-1-3-8-16/h1-12,15,29H,13-14H2
InChIKeyQVQJJAUCMINTDS-UHFFFAOYSA-N
XLogP6.14
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.41
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol?
The IUPAC name of 2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol (CID 174504808) is 2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol.
What is the SMILES notation for 2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol?
The canonical SMILES for 2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol is Oc1ccccc1Cc1c(Cc2ccccc2)cnc2c(C(F)(F)F)cccc12.
What is the InChIKey of 2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol?
The InChIKey is QVQJJAUCMINTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO/c25-24(26,27)21-11-6-10-19-20(14-17-9-4-5-12-22(17)29)18(15-28-23(19)21)13-16-7-2-1-3-8-16/h1-12,15,29H,13-14H2.
What are the key properties of 2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol?
2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol has a molecular weight of 393.41 g/mol, XLogP of 6.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]methyl]phenol is sourced from PubChem (CID 174504808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).