1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol

C27H28F3NO4 — CID 154298724

IUPAC1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol
SMILESCCC(O)COc1ccc2c(c1)CCCN2Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C27H28F3NO4/c1-2-21(32)18-33-25-13-14-26-20(16-25)4-3-15-31(26)17-19-5-7-22(8-6-19)34-23-9-11-24(12-10-23)35-27(28,29)30/h5-14,16,21,32H,2-4,15,17-18H2,1H3
InChIKeyWRNPZKUZTJMKSV-UHFFFAOYSA-N
MW487.52 g/mol
LogP6.48
Rot. Bonds9

About 1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol

1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol (PubChem CID 154298724) has the molecular formula C27H28F3NO4 and a molecular weight of 487.52 g/mol. Its IUPAC name is 1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol.

Molecular Properties

Compound Name1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol
PubChem CID154298724
Molecular FormulaC27H28F3NO4
Molecular Weight487.52 g/mol
Exact Mass487.20
IUPAC Name1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol
SMILESCCC(O)COc1ccc2c(c1)CCCN2Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1
InChIInChI=1S/C27H28F3NO4/c1-2-21(32)18-33-25-13-14-26-20(16-25)4-3-15-31(26)17-19-5-7-22(8-6-19)34-23-9-11-24(12-10-23)35-27(28,29)30/h5-14,16,21,32H,2-4,15,17-18H2,1H3
InChIKeyWRNPZKUZTJMKSV-UHFFFAOYSA-N
XLogP6.48
TPSA51.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.52
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-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

1-ethyl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
CID 129301440
1-[(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)oxy]-3-[4-(4-chlorophenyl)-2-methylpiperazin-1-yl]propan-2-ol
CID 44589186
6-phenylmethoxy-1-[3-[4-(trifluoromethoxy)phenoxy]propyl]-3,4-dihydro-2H-quinoline
CID 70873537
1-(1-benzyl-3,4-dihydro-2H-quinolin-6-yl)-2,2,2-trifluoroethanol
CID 160670575
N'-acetyl-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetohydrazide
CID 37202880
1-propan-2-yl-6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline
CID 146522036
1-(5,6,7,8-tetrahydronaphthalen-2-yloxy)pentan-2-ol
CID 62042802
N-(2-cyano-3-methylbutan-2-yl)-2-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]acetamide
CID 55682705
2-[[6-(trifluoromethoxy)-3,4-dihydro-2H-quinolin-1-yl]methyl]quinazolin-4-amine
CID 37203435
(5-bromo-2-chlorophenyl)-[1-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-quinolin-6-yl]methanol
CID 67115847
3-fluoro-4-[[1-[(4-phenoxyphenyl)methyl]-2,3-dihydroindol-5-yl]oxy]benzoic acid
CID 10671452
(3Z)-3-(1-hydroxyethylidene)-1-[[4-(trifluoromethoxy)phenyl]methyl]pyrrolidin-2-one
CID 143188086

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol?
The IUPAC name of 1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol (CID 154298724) is 1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol.
What is the SMILES notation for 1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol?
The canonical SMILES for 1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol is CCC(O)COc1ccc2c(c1)CCCN2Cc1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1.
What is the InChIKey of 1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol?
The InChIKey is WRNPZKUZTJMKSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28F3NO4/c1-2-21(32)18-33-25-13-14-26-20(16-25)4-3-15-31(26)17-19-5-7-22(8-6-19)34-23-9-11-24(12-10-23)35-27(28,29)30/h5-14,16,21,32H,2-4,15,17-18H2,1H3.
What are the key properties of 1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol?
1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol has a molecular weight of 487.52 g/mol, XLogP of 6.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[[4-[4-(trifluoromethoxy)phenoxy]phenyl]methyl]-3,4-dihydro-2H-quinolin-6-yl]oxy]butan-2-ol is sourced from PubChem (CID 154298724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).