2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline

C25H23NO2 — CID 18727386

IUPAC2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
SMILESCCc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C25H23NO2/c1-2-19-8-3-4-10-21(19)17-27-23-11-7-12-24(16-23)28-18-22-15-14-20-9-5-6-13-25(20)26-22/h3-16H,2,17-18H2,1H3
InChIKeyCPXVIRWZWDCIRK-UHFFFAOYSA-N
MW369.46 g/mol
LogP5.96
Rot. Bonds7

About 2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline

2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline (PubChem CID 18727386) has the molecular formula C25H23NO2 and a molecular weight of 369.46 g/mol. Its IUPAC name is 2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline.

Molecular Properties

Compound Name2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
PubChem CID18727386
Molecular FormulaC25H23NO2
Molecular Weight369.46 g/mol
Exact Mass369.17
IUPAC Name2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline
SMILESCCc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1
InChIInChI=1S/C25H23NO2/c1-2-19-8-3-4-10-21(19)17-27-23-11-7-12-24(16-23)28-18-22-15-14-20-9-5-6-13-25(20)26-22/h3-16H,2,17-18H2,1H3
InChIKeyCPXVIRWZWDCIRK-UHFFFAOYSA-N
XLogP5.96
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.46
LogP ≤ 55.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-methyl-3-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]benzoic acid
CID 22616027
1-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propan-2-one
CID 59117230
3-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid
CID 57172256
2-[[4-[[2-(chloromethyl)phenyl]methoxy]phenoxy]methyl]quinoline
CID 14650385
tetrazol-2-yl 2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetate
CID 57057491
1-[3-methoxy-4-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]ethenol
CID 21014235
2-[[3-(bromomethyl)phenoxy]methyl]quinoline
CID 43324683
[3-(quinolin-2-ylmethoxy)phenyl]boronic acid
CID 43327889
2-[(3-hexylphenoxy)methyl]quinoline
CID 14349142
2-[[3-(2H-tetrazol-5-ylmethoxy)phenoxy]methyl]quinoline
CID 14650343
1-ethyl-2-[(3-methylphenoxy)methyl]benzene
CID 70995774

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline?
The IUPAC name of 2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline (CID 18727386) is 2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline.
What is the SMILES notation for 2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline?
The canonical SMILES for 2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline is CCc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1.
What is the InChIKey of 2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline?
The InChIKey is CPXVIRWZWDCIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23NO2/c1-2-19-8-3-4-10-21(19)17-27-23-11-7-12-24(16-23)28-18-22-15-14-20-9-5-6-13-25(20)26-22/h3-16H,2,17-18H2,1H3.
What are the key properties of 2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline?
2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline has a molecular weight of 369.46 g/mol, XLogP of 5.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline is sourced from PubChem (CID 18727386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).