bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol

C37H28N2O3S — CID 10603330

IUPACbis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol
SMILESOC(c1ccc(OCc2ccc3ccccc3n2)cc1)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1cccs1
InChIInChI=1S/C37H28N2O3S/c40-37(36-10-5-23-43-36,28-13-19-32(20-14-28)41-24-30-17-11-26-6-1-3-8-34(26)38-30)29-15-21-33(22-16-29)42-25-31-18-12-27-7-2-4-9-35(27)39-31/h1-23,40H,24-25H2
InChIKeyBERGHPDCBFKUDH-UHFFFAOYSA-N
MW580.71 g/mol
LogP8.29
Rot. Bonds9

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

bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol (PubChem CID 10603330) has the molecular formula C37H28N2O3S and a molecular weight of 580.71 g/mol. Its IUPAC name is bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Namebis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol
PubChem CID10603330
Molecular FormulaC37H28N2O3S
Molecular Weight580.71 g/mol
Exact Mass580.18
IUPAC Namebis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol
SMILESOC(c1ccc(OCc2ccc3ccccc3n2)cc1)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1cccs1
InChIInChI=1S/C37H28N2O3S/c40-37(36-10-5-23-43-36,28-13-19-32(20-14-28)41-24-30-17-11-26-6-1-3-8-34(26)38-30)29-15-21-33(22-16-29)42-25-31-18-12-27-7-2-4-9-35(27)39-31/h1-23,40H,24-25H2
InChIKeyBERGHPDCBFKUDH-UHFFFAOYSA-N
XLogP8.29
TPSA64.47 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500580.71
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

L 674573
CID 124437
2-[Bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethyl]sulfanylacetic acid
CID 10532530
1,1-Bis(4-(2-quinolylmethoxy)phenyl)ethanol
CID 10625577
Bis(4-(2-quinolylmethoxy)phenyl)methanol
CID 10767637
4,4-Bis(4-(2-quinolylmethoxy)phenyl)pentan-1-ol
CID 10769106
2-[Phenyl-bis[4-(quinolin-2-ylmethoxy)phenyl]methyl]sulfanylacetic acid
CID 10770516
Sodium 2-[bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethyl]sulfanylacetate
CID 23667250
2-{Cyclohexyl-[6-(quinolin-2-ylmethoxy)-benzo[b]thiophen-2-yl]-methoxyimino}-propionic acid
CID 10529020
2-{[4-(Quinolin-2-ylmethoxy)-phenyl]-thiophen-2-yl-methoxyimino}-propionic acid
CID 10550678
2-{Cyclohexyl-[2-cyclohexylsulfanyl-4-(quinolin-2-ylmethoxy)-phenyl]-methoxyimino}-propionic acid
CID 10554606
2-[Bis[4-(quinolin-2-ylmethoxy)phenyl]methylsulfanyl]acetic acid
CID 10578994
(2E)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]imino-2-thiophen-2-ylacetic acid
CID 10649058

Frequently Asked Questions

What is the IUPAC name of bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol?
The IUPAC name of bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol (CID 10603330) is bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol.
What is the SMILES notation for bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol?
The canonical SMILES for bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol is OC(c1ccc(OCc2ccc3ccccc3n2)cc1)(c1ccc(OCc2ccc3ccccc3n2)cc1)c1cccs1.
What is the InChIKey of bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol?
The InChIKey is BERGHPDCBFKUDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H28N2O3S/c40-37(36-10-5-23-43-36,28-13-19-32(20-14-28)41-24-30-17-11-26-6-1-3-8-34(26)38-30)29-15-21-33(22-16-29)42-25-31-18-12-27-7-2-4-9-35(27)39-31/h1-23,40H,24-25H2.
What are the key properties of bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol?
bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol has a molecular weight of 580.71 g/mol, XLogP of 8.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol is sourced from PubChem (CID 10603330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).