1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol

C23H24F3NO3 — CID 154645761

IUPAC1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol
SMILESCCC(O)(CCc1ccc(OCc2ccc3ccccc3n2)c(OC)c1)C(F)(F)F
InChIInChI=1S/C23H24F3NO3/c1-3-22(28,23(24,25)26)13-12-16-8-11-20(21(14-16)29-2)30-15-18-10-9-17-6-4-5-7-19(17)27-18/h4-11,14,28H,3,12-13,15H2,1-2H3
InChIKeyMCEUBHUTXURMAC-UHFFFAOYSA-N
MW419.44 g/mol
LogP5.46
Rot. Bonds8

About 1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol

1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol (PubChem CID 154645761) has the molecular formula C23H24F3NO3 and a molecular weight of 419.44 g/mol. Its IUPAC name is 1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol.

Molecular Properties

Compound Name1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol
PubChem CID154645761
Molecular FormulaC23H24F3NO3
Molecular Weight419.44 g/mol
Exact Mass419.17
IUPAC Name1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol
SMILESCCC(O)(CCc1ccc(OCc2ccc3ccccc3n2)c(OC)c1)C(F)(F)F
InChIInChI=1S/C23H24F3NO3/c1-3-22(28,23(24,25)26)13-12-16-8-11-20(21(14-16)29-2)30-15-18-10-9-17-6-4-5-7-19(17)27-18/h4-11,14,28H,3,12-13,15H2,1-2H3
InChIKeyMCEUBHUTXURMAC-UHFFFAOYSA-N
XLogP5.46
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.44
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol?
The IUPAC name of 1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol (CID 154645761) is 1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol.
What is the SMILES notation for 1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol?
The canonical SMILES for 1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol is CCC(O)(CCc1ccc(OCc2ccc3ccccc3n2)c(OC)c1)C(F)(F)F.
What is the InChIKey of 1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol?
The InChIKey is MCEUBHUTXURMAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3NO3/c1-3-22(28,23(24,25)26)13-12-16-8-11-20(21(14-16)29-2)30-15-18-10-9-17-6-4-5-7-19(17)27-18/h4-11,14,28H,3,12-13,15H2,1-2H3.
What are the key properties of 1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol?
1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol has a molecular weight of 419.44 g/mol, XLogP of 5.46, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-methoxy-4-(quinolin-2-ylmethoxy)phenyl]-3-(trifluoromethyl)pentan-3-ol is sourced from PubChem (CID 154645761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).