bis[4-(quinolin-2-ylmethoxy)phenyl]methanol

C33H26N2O3 — CID 10767637

IUPACbis[4-(quinolin-2-ylmethoxy)phenyl]methanol
SMILESOC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C33H26N2O3/c36-33(25-11-17-29(18-12-25)37-21-27-15-9-23-5-1-3-7-31(23)34-27)26-13-19-30(20-14-26)38-22-28-16-10-24-6-2-4-8-32(24)35-28/h1-20,33,36H,21-22H2
InChIKeyXMEDFQZAUOOWAJ-UHFFFAOYSA-N
MW498.58 g/mol
LogP7.02
Rot. Bonds8

About bis[4-(quinolin-2-ylmethoxy)phenyl]methanol

bis[4-(quinolin-2-ylmethoxy)phenyl]methanol (PubChem CID 10767637) has the molecular formula C33H26N2O3 and a molecular weight of 498.58 g/mol. Its IUPAC name is bis[4-(quinolin-2-ylmethoxy)phenyl]methanol.

Molecular Properties

Compound Namebis[4-(quinolin-2-ylmethoxy)phenyl]methanol
PubChem CID10767637
Molecular FormulaC33H26N2O3
Molecular Weight498.58 g/mol
Exact Mass498.19
IUPAC Namebis[4-(quinolin-2-ylmethoxy)phenyl]methanol
SMILESOC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1
InChIInChI=1S/C33H26N2O3/c36-33(25-11-17-29(18-12-25)37-21-27-15-9-23-5-1-3-7-31(23)34-27)26-13-19-30(20-14-26)38-22-28-16-10-24-6-2-4-8-32(24)35-28/h1-20,33,36H,21-22H2
InChIKeyXMEDFQZAUOOWAJ-UHFFFAOYSA-N
XLogP7.02
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.58
LogP ≤ 57.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bis[4-(quinolin-2-ylmethoxy)phenyl]methanol?
The IUPAC name of bis[4-(quinolin-2-ylmethoxy)phenyl]methanol (CID 10767637) is bis[4-(quinolin-2-ylmethoxy)phenyl]methanol.
What is the SMILES notation for bis[4-(quinolin-2-ylmethoxy)phenyl]methanol?
The canonical SMILES for bis[4-(quinolin-2-ylmethoxy)phenyl]methanol is OC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1ccc(OCc2ccc3ccccc3n2)cc1.
What is the InChIKey of bis[4-(quinolin-2-ylmethoxy)phenyl]methanol?
The InChIKey is XMEDFQZAUOOWAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N2O3/c36-33(25-11-17-29(18-12-25)37-21-27-15-9-23-5-1-3-7-31(23)34-27)26-13-19-30(20-14-26)38-22-28-16-10-24-6-2-4-8-32(24)35-28/h1-20,33,36H,21-22H2.
What are the key properties of bis[4-(quinolin-2-ylmethoxy)phenyl]methanol?
bis[4-(quinolin-2-ylmethoxy)phenyl]methanol has a molecular weight of 498.58 g/mol, XLogP of 7.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(quinolin-2-ylmethoxy)phenyl]methanol is sourced from PubChem (CID 10767637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).