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

C114H117N17O10 — CID 161023203

IUPACmethyl 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
SMILESCC(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
InChIInChI=1S/C25H26N2O.C23H25N5O2.C23H22O4.C22H23N5O.C21H21N5O2/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;1-15(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);2-5,7-12,15H,6,13-14H2,1H3,(H,23,24,25,26)
InChIKeyTYQKQHZOOQFSMT-UHFFFAOYSA-N
MW1885.30 g/mol
LogP23.06
Rot. Bonds40

About 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

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 (PubChem CID 161023203) has the molecular formula C114H117N17O10 and a molecular weight of 1885.30 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID161023203
Molecular FormulaC114H117N17O10
Molecular Weight1885.30 g/mol
Exact Mass1883.92
IUPAC Namemethyl 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
SMILESCC(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
InChIInChI=1S/C25H26N2O.C23H25N5O2.C23H22O4.C22H23N5O.C21H21N5O2/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;1-15(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);2-5,7-12,15H,6,13-14H2,1H3,(H,23,24,25,26)
InChIKeyTYQKQHZOOQFSMT-UHFFFAOYSA-N
XLogP23.06
TPSA349.87 Ų
H-Bond Donors4
H-Bond Acceptors24
Rotatable Bonds40
Heavy Atoms141
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001885.30
LogP ≤ 523.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1024

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 161023203) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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 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?
The InChIKey is TYQKQHZOOQFSMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O.C23H25N5O2.C23H22O4.C22H23N5O.C21H21N5O2/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;1-15(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);2-5,7-12,15H,6,13-14H2,1H3,(H,23,24,25,26).
What are the key properties of 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?
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 has a molecular weight of 1885.30 g/mol, XLogP of 23.06, 40 rotatable bonds, 4 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 161023203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).