2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol

C32H26F3NO2 — CID 16727104

IUPAC2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1
InChIInChI=1S/C32H26F3NO2/c1-31(2,37)24-12-7-14-26(19-24)38-25-13-6-11-22(18-25)29-23(17-21-9-4-3-5-10-21)20-36-30-27(29)15-8-16-28(30)32(33,34)35/h3-16,18-20,37H,17H2,1-2H3
InChIKeyAIZFRFCHCJRXFS-UHFFFAOYSA-N
MW513.56 g/mol
LogP8.53
Rot. Bonds6

About 2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol

2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol (PubChem CID 16727104) has the molecular formula C32H26F3NO2 and a molecular weight of 513.56 g/mol. Its IUPAC name is 2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol
PubChem CID16727104
Molecular FormulaC32H26F3NO2
Molecular Weight513.56 g/mol
Exact Mass513.19
IUPAC Name2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol
SMILESCC(C)(O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1
InChIInChI=1S/C32H26F3NO2/c1-31(2,37)24-12-7-14-26(19-24)38-25-13-6-11-22(18-25)29-23(17-21-9-4-3-5-10-21)20-36-30-27(29)15-8-16-28(30)32(33,34)35/h3-16,18-20,37H,17H2,1-2H3
InChIKeyAIZFRFCHCJRXFS-UHFFFAOYSA-N
XLogP8.53
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.56
LogP ≤ 58.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-{3-[3-Benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenoxymethyl}benzoic acid
CID 11261037
Benzeneacetic acid,4-[[3-[3-(phenylmethyl)-8-(trifluoromethyl)-4-quinolinyl]phenoxy]methyl]-
CID 11627859
2-(4-{3-[3-Benzoyl-8-(trifluoromethyl)quinolin-4-yl]phenoxymethyl}phenyl)acetic acid
CID 16090329
4-[3-(3-Benzyl-8-trifluoromethyl-quinolin-4-yl)-phenoxy]-phenol
CID 16718799
Biarylether alcohol quinoline, 5f
CID 16727105
4-{3-[3-(Methylsulfonyl)phenoxy]phenyl}-8-(Trifluoromethyl)quinoline
CID 25100472
Methyl 3-{3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy}benzoate
CID 44472980
Biarylether alcohol quinoline, 5a
CID 44472981
Biarylether alcohol quinoline, 5c
CID 44472982
Biarylether alcohol quinoline, 5d
CID 44472983
3-Methyl quinoline, 8b
CID 44472985
Biarylether alcohol quinoline, 5g
CID 44472987

Frequently Asked Questions

What is the IUPAC name of 2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol?
The IUPAC name of 2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol (CID 16727104) is 2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol.
What is the SMILES notation for 2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol?
The canonical SMILES for 2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol is CC(C)(O)c1cccc(Oc2cccc(-c3c(Cc4ccccc4)cnc4c(C(F)(F)F)cccc34)c2)c1.
What is the InChIKey of 2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol?
The InChIKey is AIZFRFCHCJRXFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F3NO2/c1-31(2,37)24-12-7-14-26(19-24)38-25-13-6-11-22(18-25)29-23(17-21-9-4-3-5-10-21)20-36-30-27(29)15-8-16-28(30)32(33,34)35/h3-16,18-20,37H,17H2,1-2H3.
What are the key properties of 2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol?
2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol has a molecular weight of 513.56 g/mol, XLogP of 8.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[3-[3-benzyl-8-(trifluoromethyl)quinolin-4-yl]phenoxy]phenyl]propan-2-ol is sourced from PubChem (CID 16727104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).