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

C105H83ClN10O10 — CID 158204576

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

2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline (PubChem CID 158204576) has the molecular formula C105H83ClN10O10 and a molecular weight of 1680.33 g/mol. Its IUPAC name is 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline.

Molecular Properties

• Compound Name: 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline
• PubChem CID: 158204576
• Molecular Formula: C105H83ClN10O10
• Molecular Weight: 1680.33 g/mol
• Exact Mass: 1678.60
• IUPAC Name: 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline
• SMILES: C(=C/c1cccc(-c2ncn[nH]2)c1)\c1ccc(/C=C/c2ccc3ccccc3n2)cc1.C(=C\c1cccc(-c2ncn[nH]2)c1)\c1ccc(/C=C/c2ccc3ccccc3n2)cc1.CC(Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O.O=C(O)COc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1
• InChI: InChI=1S/2C27H20N4.C26H22ClNO5.C25H21NO5/c2*1-2-7-26-23(5-1)15-17-25(30-26)16-14-21-10-8-20(9-11-21)12-13-22-4-3-6-24(18-22)27-28-19-29-31-27;1-17(26(29)30)33-25-12-10-20(27)13-19(25)15-31-22-6-4-7-23(14-22)32-16-21-11-9-18-5-2-3-8-24(18)28-21;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/h2*1-19H,(H,28,29,31);2-14,17H,15-16H2,1H3,(H,29,30);1-14H,15-17H2,(H,27,28)/b13-12+,16-14+;13-12-,16-14+
• InChIKey: GBIMRGBBZVGGSP-SNYNEUKZSA-N
• XLogP: 23.48
• TPSA: 264.68 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 28
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1680.33
LogP ≤ 5	23.48
H-Bond Donors ≤ 5	4
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-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline?

The IUPAC name of 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline (CID 158204576) is 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline.

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

The canonical SMILES for 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline is C(=C/c1cccc(-c2ncn[nH]2)c1)\c1ccc(/C=C/c2ccc3ccccc3n2)cc1.C(=C\c1cccc(-c2ncn[nH]2)c1)\c1ccc(/C=C/c2ccc3ccccc3n2)cc1.CC(Oc1ccc(Cl)cc1COc1cccc(OCc2ccc3ccccc3n2)c1)C(=O)O.O=C(O)COc1ccccc1COc1cccc(OCc2ccc3ccccc3n2)c1.

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

The InChIKey is GBIMRGBBZVGGSP-SNYNEUKZSA-N. The full InChI is InChI=1S/2C27H20N4.C26H22ClNO5.C25H21NO5/c2*1-2-7-26-23(5-1)15-17-25(30-26)16-14-21-10-8-20(9-11-21)12-13-22-4-3-6-24(18-22)27-28-19-29-31-27;1-17(26(29)30)33-25-12-10-20(27)13-19(25)15-31-22-6-4-7-23(14-22)32-16-21-11-9-18-5-2-3-8-24(18)28-21;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/h2*1-19H,(H,28,29,31);2-14,17H,15-16H2,1H3,(H,29,30);1-14H,15-17H2,(H,27,28)/b13-12+,16-14+;13-12-,16-14+;;.

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

2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline has a molecular weight of 1680.33 g/mol, XLogP of 23.48, 28 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-chloro-2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]propanoic acid;2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenoxy]acetic acid;2-[(E)-2-[4-[(Z)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline;2-[(E)-2-[4-[(E)-2-[3-(1H-1,2,4-triazol-5-yl)phenyl]ethenyl]phenyl]ethenyl]quinoline is sourced from PubChem (CID 158204576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).