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

C21H17NO2S — CID 11791956

IUPAC[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol
SMILESOC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1cccs1
InChIInChI=1S/C21H17NO2S/c23-21(20-6-3-13-25-20)16-8-11-18(12-9-16)24-14-17-10-7-15-4-1-2-5-19(15)22-17/h1-13,21,23H,14H2
InChIKeyMSDOHJFKCUPAOK-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.96
Rot. Bonds5

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

[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol (PubChem CID 11791956) has the molecular formula C21H17NO2S and a molecular weight of 347.44 g/mol. Its IUPAC name is [4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol.

Molecular Properties

Compound Name[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol
PubChem CID11791956
Molecular FormulaC21H17NO2S
Molecular Weight347.44 g/mol
Exact Mass347.10
IUPAC Name[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol
SMILESOC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1cccs1
InChIInChI=1S/C21H17NO2S/c23-21(20-6-3-13-25-20)16-8-11-18(12-9-16)24-14-17-10-7-15-4-1-2-5-19(15)22-17/h1-13,21,23H,14H2
InChIKeyMSDOHJFKCUPAOK-UHFFFAOYSA-N
XLogP4.96
TPSA42.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

L 674573
CID 124437
1-[4-(Quinolin-2-ylmethoxy)phenyl]hexan-1-ol
CID 9797817
2-[Bis[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethyl]sulfanylacetic acid
CID 10532530
Bis(4-(2-quinolylmethoxy)phenyl)methanol
CID 10767637
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-{Cyclohexyl-[4-(quinolin-2-ylmethoxy)-phenyl]-methoxyimino}-3-(2-hydroxy-ethylsulfanyl)-propionic acid
CID 10601732
(2E)-2-[cyclohexyl-[4-(quinolin-2-ylmethoxy)phenyl]methoxy]imino-2-thiophen-2-ylacetic acid
CID 10649058
(Z)-{Cyclohexyl-[4-(quinolin-2-ylmethoxy)-phenyl]-methoxyimino}-thiophen-2-yl-acetic acid
CID 10649059
3-tert-Butylsulfanyl-2-{cyclohexyl-[4-(quinolin-2-ylmethoxy)-phenyl]-methoxyimino}-propionic acid
CID 10768311

Frequently Asked Questions

What is the IUPAC name of [4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol?
The IUPAC name of [4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol (CID 11791956) is [4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol.
What is the SMILES notation for [4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol?
The canonical SMILES for [4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol is OC(c1ccc(OCc2ccc3ccccc3n2)cc1)c1cccs1.
What is the InChIKey of [4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol?
The InChIKey is MSDOHJFKCUPAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17NO2S/c23-21(20-6-3-13-25-20)16-8-11-18(12-9-16)24-14-17-10-7-15-4-1-2-5-19(15)22-17/h1-13,21,23H,14H2.
What are the key properties of [4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol?
[4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol has a molecular weight of 347.44 g/mol, XLogP of 4.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(quinolin-2-ylmethoxy)phenyl]-thiophen-2-ylmethanol is sourced from PubChem (CID 11791956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).