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

C19H16F3NO — CID 58046084

IUPAC3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol
SMILESCC(C)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1
InChIInChI=1S/C19H16F3NO/c1-11(2)15-10-23-18-14(7-4-8-16(18)19(20,21)22)17(15)12-5-3-6-13(24)9-12/h3-11,24H,1-2H3
InChIKeyIZXGNSKUPQDFFQ-UHFFFAOYSA-N
MW331.34 g/mol
LogP5.75
Rot. Bonds2

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

3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol (PubChem CID 58046084) has the molecular formula C19H16F3NO and a molecular weight of 331.34 g/mol. Its IUPAC name is 3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol.

Molecular Properties

Compound Name3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol
PubChem CID58046084
Molecular FormulaC19H16F3NO
Molecular Weight331.34 g/mol
Exact Mass331.12
IUPAC Name3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol
SMILESCC(C)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1
InChIInChI=1S/C19H16F3NO/c1-11(2)15-10-23-18-14(7-4-8-16(18)19(20,21)22)17(15)12-5-3-6-13(24)9-12/h3-11,24H,1-2H3
InChIKeyIZXGNSKUPQDFFQ-UHFFFAOYSA-N
XLogP5.75
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.34
LogP ≤ 55.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol?
The IUPAC name of 3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol (CID 58046084) is 3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol.
What is the SMILES notation for 3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol?
The canonical SMILES for 3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol is CC(C)c1cnc2c(C(F)(F)F)cccc2c1-c1cccc(O)c1.
What is the InChIKey of 3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol?
The InChIKey is IZXGNSKUPQDFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO/c1-11(2)15-10-23-18-14(7-4-8-16(18)19(20,21)22)17(15)12-5-3-6-13(24)9-12/h3-11,24H,1-2H3.
What are the key properties of 3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol?
3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol has a molecular weight of 331.34 g/mol, XLogP of 5.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-propan-2-yl-8-(trifluoromethyl)quinolin-4-yl]phenol is sourced from PubChem (CID 58046084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).