2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline

C104H89N7O11 — CID 91176920

About 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline

2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline (PubChem CID 91176920) has the molecular formula C104H89N7O11 and a molecular weight of 1612.89 g/mol. Its IUPAC name is 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
• PubChem CID: 91176920
• Molecular Formula: C104H89N7O11
• Molecular Weight: 1612.89 g/mol
• Exact Mass: 1611.66
• IUPAC Name: 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline
• SMILES: C(=C/c1cccc(-c2ncn[nH]2)c1)\c1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)C(C)Oc1ccccc1/C=C\c1ccc(OCc2ccc3ccccc3n2)cc1.CCc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)COc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1
• InChI: InChI=1S/C28H25NO3.C26H20N4O.C25H21NO5.C25H23NO2/c1-20(30)21(2)32-28-10-6-4-8-24(28)14-11-22-12-17-26(18-13-22)31-19-25-16-15-23-7-3-5-9-27(23)29-25;1-2-7-25-21(5-1)12-13-23(29-25)17-31-24-14-10-19(11-15-24)8-9-20-4-3-6-22(16-20)26-27-18-28-30-26;27-25(28)17-31-24-11-4-2-7-19(24)15-29-21-8-5-9-22(14-21)30-16-20-13-12-18-6-1-3-10-23(18)26-20;1-2-19-7-3-4-9-21(19)17-27-23-13-15-24(16-14-23)28-18-22-12-11-20-8-5-6-10-25(20)26-22/h3-18,21H,19H2,1-2H3;1-16,18H,17H2,(H,27,28,30);1-14H,15-17H2,(H,27,28);3-16H,2,17-18H2,1H3/b14-11-;9-8+
• InChIKey: ZREILOHYKDDQTN-IMRONAMYSA-N
• XLogP: 22.92
• TPSA: 221.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 16
• Rotatable Bonds: 30
• Heavy Atoms: 122
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1612.89
LogP ≤ 5	22.92
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'stilbene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?

The IUPAC name of 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline (CID 91176920) is 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline.

What is the SMILES notation for 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?

The canonical SMILES for 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline is C(=C/c1cccc(-c2ncn[nH]2)c1)\c1ccc(OCc2ccc3ccccc3n2)cc1.CC(=O)C(C)Oc1ccccc1/C=C\c1ccc(OCc2ccc3ccccc3n2)cc1.CCc1ccccc1COc1ccc(OCc2ccc3ccccc3n2)cc1.O=C(O)COc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1.

What is the InChIKey of 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?

The InChIKey is ZREILOHYKDDQTN-IMRONAMYSA-N. The full InChI is InChI=1S/C28H25NO3.C26H20N4O.C25H21NO5.C25H23NO2/c1-20(30)21(2)32-28-10-6-4-8-24(28)14-11-22-12-17-26(18-13-22)31-19-25-16-15-23-7-3-5-9-27(23)29-25;1-2-7-25-21(5-1)12-13-23(29-25)17-31-24-14-10-19(11-15-24)8-9-20-4-3-6-22(16-20)26-27-18-28-30-26;27-25(28)17-31-24-11-4-2-7-19(24)15-29-21-8-5-9-22(14-21)30-16-20-13-12-18-6-1-3-10-23(18)26-20;1-2-19-7-3-4-9-21(19)17-27-23-13-15-24(16-14-23)28-18-22-12-11-20-8-5-6-10-25(20)26-22/h3-18,21H,19H2,1-2H3;1-16,18H,17H2,(H,27,28,30);1-14H,15-17H2,(H,27,28);3-16H,2,17-18H2,1H3/b14-11-;9-8+;;.

What are the key properties of 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline?

2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline has a molecular weight of 1612.89 g/mol, XLogP of 22.92, 30 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[4-[(2-ethylphenyl)methoxy]phenoxy]methyl]quinoline;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;3-[2-[(Z)-2-[4-(quinolin-2-ylmethoxy)phenyl]ethenyl]phenoxy]butan-2-one;2-[[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenoxy]methyl]quinoline is sourced from PubChem (CID 91176920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).