7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol

C23H24F3NO2 — CID 10092565

IUPAC7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol
SMILESOC(CCCCCC(F)(F)F)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C23H24F3NO2/c24-23(25,26)15-5-1-2-8-22(28)18-10-13-20(14-11-18)29-16-19-12-9-17-6-3-4-7-21(17)27-19/h3-4,6-7,9-14,22,28H,1-2,5,8,15-16H2
InChIKeyMTMVUJNIUYYCFL-UHFFFAOYSA-N
MW403.44 g/mol
LogP6.36
Rot. Bonds9

About 7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol

7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol (PubChem CID 10092565) has the molecular formula C23H24F3NO2 and a molecular weight of 403.44 g/mol. Its IUPAC name is 7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol.

Molecular Properties

Compound Name7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol
PubChem CID10092565
Molecular FormulaC23H24F3NO2
Molecular Weight403.44 g/mol
Exact Mass403.18
IUPAC Name7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol
SMILESOC(CCCCCC(F)(F)F)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C23H24F3NO2/c24-23(25,26)15-5-1-2-8-22(28)18-10-13-20(14-11-18)29-16-19-12-9-17-6-3-4-7-21(17)27-19/h3-4,6-7,9-14,22,28H,1-2,5,8,15-16H2
InChIKeyMTMVUJNIUYYCFL-UHFFFAOYSA-N
XLogP6.36
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.44
LogP ≤ 56.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-(quinolin-2-ylmethoxy)phenyl]-6-[3-(trifluoromethyl)phenoxy]hexan-1-ol
CID 21280483
O-[1-[4-(quinolin-2-ylmethoxy)phenyl]nonyl]hydroxylamine
CID 10786723
6-(3-chlorophenoxy)-1-[3-(quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 14349139
3,3-bis[4-(quinolin-2-ylmethoxy)phenyl]propanethioic S-acid
CID 19069087
4,4-bis[4-(quinolin-2-ylmethoxy)phenyl]pentan-1-ol
CID 10769106
O-[2-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]hydroxylamine
CID 11793527
[4-(quinolin-2-ylmethoxy)phenyl]methanamine
CID 28773235
4-[4-(quinolin-2-ylmethoxy)phenyl]benzoic acid
CID 168875197
4-(quinolin-2-ylmethoxy)benzonitrile
CID 19844724
4-(quinolin-2-ylmethoxy)benzoyl chloride
CID 19762439
2-quinolin-2-yl-1-[4-(trifluoromethyl)phenyl]ethanol
CID 2778952
5-[4-(quinolin-2-ylmethoxy)phenyl]pentanoic acid
CID 14742700

Frequently Asked Questions

What is the IUPAC name of 7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol?
The IUPAC name of 7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol (CID 10092565) is 7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol.
What is the SMILES notation for 7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol?
The canonical SMILES for 7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol is OC(CCCCCC(F)(F)F)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol?
The InChIKey is MTMVUJNIUYYCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO2/c24-23(25,26)15-5-1-2-8-22(28)18-10-13-20(14-11-18)29-16-19-12-9-17-6-3-4-7-21(17)27-19/h3-4,6-7,9-14,22,28H,1-2,5,8,15-16H2.
What are the key properties of 7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol?
7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol has a molecular weight of 403.44 g/mol, XLogP of 6.36, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7,7-trifluoro-1-[4-(quinolin-2-ylmethoxy)phenyl]heptan-1-ol is sourced from PubChem (CID 10092565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).