methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline

C142H164N22O11 — CID 157393958

About methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline

methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline (PubChem CID 157393958) has the molecular formula C142H164N22O11 and a molecular weight of 2355.02 g/mol. Its IUPAC name is methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline.

Molecular Properties

• Compound Name: methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline
• PubChem CID: 157393958
• Molecular Formula: C142H164N22O11
• Molecular Weight: 2355.02 g/mol
• Exact Mass: 2353.29
• IUPAC Name: methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline
• SMILES: C.C.C.C.C.C.CC(CCCc1nn[nH]n1)c1ccc(OCc2ccc3ccccc3n2)cc1.CC(CCc1cccc(OCc2ccc3ccccc3n2)c1)Cc1nn[nH]n1.CC(CCc1nn[nH]n1)Oc1ccc(OCc2ccc3ccccc3n2)cc1.CCCC(CCc1nn[nH]n1)Oc1ccc(OCc2ccc3ccccc3n2)cc1.COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1.N#CCC1(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1
• InChI: InChI=1S/C25H26N2O.C23H25N5O2.C23H22O4.2C22H23N5O.C21H21N5O2.6CH4/c26-18-17-25(14-3-4-15-25)16-13-20-7-11-23(12-8-20)28-19-22-10-9-21-5-1-2-6-24(21)27-22;1-2-5-20(14-15-23-25-27-28-26-23)30-21-12-10-19(11-13-21)29-16-18-9-8-17-6-3-4-7-22(17)24-18;1-26-23(25)22(19-9-11-20(24)12-10-19)15-17-7-13-21(14-8-17)27-16-18-5-3-2-4-6-18;1-16(13-22-24-26-27-25-22)9-10-17-5-4-7-20(14-17)28-15-19-12-11-18-6-2-3-8-21(18)23-19;1-16(5-4-8-22-24-26-27-25-22)17-10-13-20(14-11-17)28-15-19-12-9-18-6-2-3-7-21(18)23-19;1-15(6-13-21-23-25-26-24-21)28-19-11-9-18(10-12-19)27-14-17-8-7-16-4-2-3-5-20(16)22-17;;;;;;/h1-2,5-12H,3-4,13-17,19H2;3-4,6-13,20H,2,5,14-16H2,1H3,(H,25,26,27,28);2-14,22,24H,15-16H2,1H3;2-8,11-12,14,16H,9-10,13,15H2,1H3,(H,24,25,26,27);2-3,6-7,9-14,16H,4-5,8,15H2,1H3,(H,24,25,26,27);2-5,7-12,15H,6,13-14H2,1H3,(H,23,24,25,26);6*1H4
• InChIKey: BMIRGVADTZTCJP-UHFFFAOYSA-N
• XLogP: 31.33
• TPSA: 426.45 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 29
• Rotatable Bonds: 48
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2355.02
LogP ≤ 5	31.33
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline?

The IUPAC name of methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline (CID 157393958) is methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline.

What is the SMILES notation for methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline?

The canonical SMILES for methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline is C.C.C.C.C.C.CC(CCCc1nn[nH]n1)c1ccc(OCc2ccc3ccccc3n2)cc1.CC(CCc1cccc(OCc2ccc3ccccc3n2)c1)Cc1nn[nH]n1.CC(CCc1nn[nH]n1)Oc1ccc(OCc2ccc3ccccc3n2)cc1.CCCC(CCc1nn[nH]n1)Oc1ccc(OCc2ccc3ccccc3n2)cc1.COC(=O)C(Cc1ccc(OCc2ccccc2)cc1)c1ccc(O)cc1.N#CCC1(CCc2ccc(OCc3ccc4ccccc4n3)cc2)CCCC1.

What is the InChIKey of methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline?

The InChIKey is BMIRGVADTZTCJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O.C23H25N5O2.C23H22O4.2C22H23N5O.C21H21N5O2.6CH4/c26-18-17-25(14-3-4-15-25)16-13-20-7-11-23(12-8-20)28-19-22-10-9-21-5-1-2-6-24(21)27-22;1-2-5-20(14-15-23-25-27-28-26-23)30-21-12-10-19(11-13-21)29-16-18-9-8-17-6-3-4-7-22(17)24-18;1-26-23(25)22(19-9-11-20(24)12-10-19)15-17-7-13-21(14-8-17)27-16-18-5-3-2-4-6-18;1-16(13-22-24-26-27-25-22)9-10-17-5-4-7-20(14-17)28-15-19-12-11-18-6-2-3-8-21(18)23-19;1-16(5-4-8-22-24-26-27-25-22)17-10-13-20(14-11-17)28-15-19-12-9-18-6-2-3-7-21(18)23-19;1-15(6-13-21-23-25-26-24-21)28-19-11-9-18(10-12-19)27-14-17-8-7-16-4-2-3-5-20(16)22-17;;;;;;/h1-2,5-12H,3-4,13-17,19H2;3-4,6-13,20H,2,5,14-16H2,1H3,(H,25,26,27,28);2-14,22,24H,15-16H2,1H3;2-8,11-12,14,16H,9-10,13,15H2,1H3,(H,24,25,26,27);2-3,6-7,9-14,16H,4-5,8,15H2,1H3,(H,24,25,26,27);2-5,7-12,15H,6,13-14H2,1H3,(H,23,24,25,26);6*1H4.

What are the key properties of methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline?

methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline has a molecular weight of 2355.02 g/mol, XLogP of 31.33, 48 rotatable bonds, 5 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for methane;methyl 2-(4-hydroxyphenyl)-3-(4-phenylmethoxyphenyl)propanoate;2-[[3-[3-methyl-4-(2H-tetrazol-5-yl)butyl]phenoxy]methyl]quinoline;2-[1-[2-[4-(quinolin-2-ylmethoxy)phenyl]ethyl]cyclopentyl]acetonitrile;2-[[4-[4-(2H-tetrazol-5-yl)butan-2-yloxy]phenoxy]methyl]quinoline;2-[[4-[1-(2H-tetrazol-5-yl)hexan-3-yloxy]phenoxy]methyl]quinoline;2-[[4-[5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline is sourced from PubChem (CID 157393958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).