2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde)

C101H106N6O15 — CID 159760021

IUPAC2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde)
SMILESC=Cc1c(O)cccc1OCc1cccnc1-c1ccccc1OC.C=Cc1c(O)cccc1OCc1cccnc1-c1cccnc1OC.COc1cccc(N2CCCC(Oc3cccc(C)c3C=O)C2)c1.COc1cccc(N2CCC[C@H]2COc2cccc(C)c2C=O)c1.COc1cccc(N2CCC[C@H]2COc2cccc(C)c2C=O)c1
InChIInChI=1S/C21H19NO3.C20H18N2O3.3C20H23NO3/c1-3-16-18(23)10-6-12-20(16)25-14-15-8-7-13-22-21(15)17-9-4-5-11-19(17)24-2;1-3-15-17(23)9-4-10-18(15)25-13-14-7-5-11-21-19(14)16-8-6-12-22-20(16)24-2;2*1-15-6-3-10-20(19(15)13-22)24-14-17-8-5-11-21(17)16-7-4-9-18(12-16)23-2;1-15-6-3-10-20(19(15)14-22)24-18-9-5-11-21(13-18)16-7-4-8-17(12-16)23-2/h3-13,23H,1,14H2,2H3;3-12,23H,1,13H2,2H3;2*3-4,6-7,9-10,12-13,17H,5,8,11,14H2,1-2H3;3-4,6-8,10,12,14,18H,5,9,11,13H2,1-2H3/t;;2*17-;/m..00./s1
InChIKeyNETHXZYQOAJEIA-OGTCYSTASA-N
MW1643.99 g/mol
LogP20.36
Rot. Bonds29

About 2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde)

2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde) (PubChem CID 159760021) has the molecular formula C101H106N6O15 and a molecular weight of 1643.99 g/mol. Its IUPAC name is 2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde).

Molecular Properties

Compound Name2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde)
PubChem CID159760021
Molecular FormulaC101H106N6O15
Molecular Weight1643.99 g/mol
Exact Mass1642.77
IUPAC Name2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde)
SMILESC=Cc1c(O)cccc1OCc1cccnc1-c1ccccc1OC.C=Cc1c(O)cccc1OCc1cccnc1-c1cccnc1OC.COc1cccc(N2CCCC(Oc3cccc(C)c3C=O)C2)c1.COc1cccc(N2CCC[C@H]2COc2cccc(C)c2C=O)c1.COc1cccc(N2CCC[C@H]2COc2cccc(C)c2C=O)c1
InChIInChI=1S/C21H19NO3.C20H18N2O3.3C20H23NO3/c1-3-16-18(23)10-6-12-20(16)25-14-15-8-7-13-22-21(15)17-9-4-5-11-19(17)24-2;1-3-15-17(23)9-4-10-18(15)25-13-14-7-5-11-21-19(14)16-8-6-12-22-20(16)24-2;2*1-15-6-3-10-20(19(15)13-22)24-14-17-8-5-11-21(17)16-7-4-9-18(12-16)23-2;1-15-6-3-10-20(19(15)14-22)24-18-9-5-11-21(13-18)16-7-4-8-17(12-16)23-2/h3-13,23H,1,14H2,2H3;3-12,23H,1,13H2,2H3;2*3-4,6-7,9-10,12-13,17H,5,8,11,14H2,1-2H3;3-4,6-8,10,12,14,18H,5,9,11,13H2,1-2H3/t;;2*17-;/m..00./s1
InChIKeyNETHXZYQOAJEIA-OGTCYSTASA-N
XLogP20.36
TPSA232.36 Ų
H-Bond Donors2
H-Bond Acceptors21
Rotatable Bonds29
Heavy Atoms122
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001643.99
LogP ≤ 520.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

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

Analyze 2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde) with MolForge

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Related Compounds

2-hydroxy-6-[[(2S)-1-[(2-methyl-3-pyridinyl)methyl]piperidin-2-yl]methoxy]benzaldehyde
CID 175099546
2-[[2-(3,6-dihydro-2H-pyran-4-yl)-3-pyridinyl]methoxy]-6-methylbenzaldehyde;2-ethenyl-3-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)-3-pyridinyl]methoxy]phenol;2-methyl-6-[[2-(4-methyl-1,4-diazepan-1-yl)-3-pyridinyl]methoxy]benzaldehyde;2-methyl-6-[(2-morpholin-4-yl-3-pyridinyl)methoxy]benzaldehyde
CID 162215014
2-[[2-(1-cyclopentylpyrrol-2-yl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 90438070
5-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]-3H-isoindole-4-carbaldehyde
CID 118372138
3-[(2S)-2-[(2-ethenyl-3-hydroxyphenoxy)methyl]piperidine-1-carbonyl]pyridine-2-carbaldehyde
CID 157229050
2-[[2-(3-formylphenyl)-3-pyridinyl]methoxy]-6-hydroxybenzaldehyde
CID 146525241
[5-(2-methoxyphenoxy)-2-[3-[(3-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]phenyl]methanol
CID 170313388
2-hydroxy-6-[[5-(2-methoxy-3-pyridinyl)-3,6-dihydro-2H-pyran-4-yl]methoxy]benzaldehyde
CID 90448314
2-hydroxy-6-[[1-(2-methylpyridine-3-carbonyl)piperidin-2-yl]methoxy]benzaldehyde
CID 118953502
2-methyl-6-[[(2S)-5-oxo-1-phenylpyrrolidin-2-yl]methoxy]benzaldehyde
CID 134544893
N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-2-(3-methyl-4-pyridinyl)acetamide
CID 124618191
2-hydroxy-6-[[(3R)-4-(2-methoxy-3-pyridinyl)oxolan-3-yl]methoxy]benzaldehyde
CID 144715609

Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde)?
The IUPAC name of 2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde) (CID 159760021) is 2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde).
What is the SMILES notation for 2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde)?
The canonical SMILES for 2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde) is C=Cc1c(O)cccc1OCc1cccnc1-c1ccccc1OC.C=Cc1c(O)cccc1OCc1cccnc1-c1cccnc1OC.COc1cccc(N2CCCC(Oc3cccc(C)c3C=O)C2)c1.COc1cccc(N2CCC[C@H]2COc2cccc(C)c2C=O)c1.COc1cccc(N2CCC[C@H]2COc2cccc(C)c2C=O)c1.
What is the InChIKey of 2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde)?
The InChIKey is NETHXZYQOAJEIA-OGTCYSTASA-N. The full InChI is InChI=1S/C21H19NO3.C20H18N2O3.3C20H23NO3/c1-3-16-18(23)10-6-12-20(16)25-14-15-8-7-13-22-21(15)17-9-4-5-11-19(17)24-2;1-3-15-17(23)9-4-10-18(15)25-13-14-7-5-11-21-19(14)16-8-6-12-22-20(16)24-2;2*1-15-6-3-10-20(19(15)13-22)24-14-17-8-5-11-21(17)16-7-4-9-18(12-16)23-2;1-15-6-3-10-20(19(15)14-22)24-18-9-5-11-21(13-18)16-7-4-8-17(12-16)23-2/h3-13,23H,1,14H2,2H3;3-12,23H,1,13H2,2H3;2*3-4,6-7,9-10,12-13,17H,5,8,11,14H2,1-2H3;3-4,6-8,10,12,14,18H,5,9,11,13H2,1-2H3/t;;2*17-;/m..00./s1.
What are the key properties of 2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde)?
2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde) has a molecular weight of 1643.99 g/mol, XLogP of 20.36, 29 rotatable bonds, 2 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-3-[[2-(2-methoxyphenyl)-3-pyridinyl]methoxy]phenol;2-ethenyl-3-[[2-(2-methoxy-3-pyridinyl)-3-pyridinyl]methoxy]phenol;2-[1-(3-methoxyphenyl)piperidin-3-yl]oxy-6-methylbenzaldehyde;bis(2-[[(2S)-1-(3-methoxyphenyl)pyrrolidin-2-yl]methoxy]-6-methylbenzaldehyde) is sourced from PubChem (CID 159760021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).