4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol

C26H25NO2 — CID 10068544

IUPAC4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol
SMILESOC(CCCc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H25NO2/c28-26(12-6-9-20-7-2-1-3-8-20)22-14-17-24(18-15-22)29-19-23-16-13-21-10-4-5-11-25(21)27-23/h1-5,7-8,10-11,13-18,26,28H,6,9,12,19H2
InChIKeyCOROXYGMHLBXOF-UHFFFAOYSA-N
MW383.49 g/mol
LogP5.87
Rot. Bonds8

About 4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol

4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol (PubChem CID 10068544) has the molecular formula C26H25NO2 and a molecular weight of 383.49 g/mol. Its IUPAC name is 4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol.

Molecular Properties

Compound Name4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol
PubChem CID10068544
Molecular FormulaC26H25NO2
Molecular Weight383.49 g/mol
Exact Mass383.19
IUPAC Name4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol
SMILESOC(CCCc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C26H25NO2/c28-26(12-6-9-20-7-2-1-3-8-20)22-14-17-24(18-15-22)29-19-23-16-13-21-10-4-5-11-25(21)27-23/h1-5,7-8,10-11,13-18,26,28H,6,9,12,19H2
InChIKeyCOROXYGMHLBXOF-UHFFFAOYSA-N
XLogP5.87
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.49
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Cms-121
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CID 91971313

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol?
The IUPAC name of 4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol (CID 10068544) is 4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol.
What is the SMILES notation for 4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol?
The canonical SMILES for 4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol is OC(CCCc1ccccc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of 4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol?
The InChIKey is COROXYGMHLBXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25NO2/c28-26(12-6-9-20-7-2-1-3-8-20)22-14-17-24(18-15-22)29-19-23-16-13-21-10-4-5-11-25(21)27-23/h1-5,7-8,10-11,13-18,26,28H,6,9,12,19H2.
What are the key properties of 4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol?
4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol has a molecular weight of 383.49 g/mol, XLogP of 5.87, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-1-[4-(quinolin-2-ylmethoxy)phenyl]butan-1-ol is sourced from PubChem (CID 10068544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).