hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate

C136H155O26+ — CID 160515874

IUPAChydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate
SMILESCO/C=C/C(C)(C)c1ccc(OC)c(OCc2ccccc2)c1.COC(=O)C(C)(C)c1ccc(OC)c(OCc2ccccc2)c1.COC(=O)Cc1ccc(OC)c(OCc2ccccc2)c1.COc1ccc(C(C)(C)C=O)cc1OCc1ccccc1.COc1ccc(C(C)(C)CC=O)cc1OCc1ccccc1.COc1ccc(C(C)(C)CO)cc1OCc1ccccc1.COc1ccc(C(C)=O)cc1O.COc1ccc(C(C)=O)cc1OCc1ccccc1.[H+]
InChIInChI=1S/C20H24O3.C19H22O4.C19H22O3.C18H22O3.C18H20O3.C17H18O4.C16H16O3.C9H10O3/c1-20(2,12-13-21-3)17-10-11-18(22-4)19(14-17)23-15-16-8-6-5-7-9-16;1-19(2,18(20)22-4)15-10-11-16(21-3)17(12-15)23-13-14-8-6-5-7-9-14;1-19(2,11-12-20)16-9-10-17(21-3)18(13-16)22-14-15-7-5-4-6-8-15;2*1-18(2,13-19)15-9-10-16(20-3)17(11-15)21-12-14-7-5-4-6-8-14;1-19-15-9-8-14(11-17(18)20-2)10-16(15)21-12-13-6-4-3-5-7-13;1-12(17)14-8-9-15(18-2)16(10-14)19-11-13-6-4-3-5-7-13;1-6(10)7-3-4-9(12-2)8(11)5-7/h5-14H,15H2,1-4H3;5-12H,13H2,1-4H3;4-10,12-13H,11,14H2,1-3H3;4-11,19H,12-13H2,1-3H3;4-11,13H,12H2,1-3H3;3-10H,11-12H2,1-2H3;3-10H,11H2,1-2H3;3-5,11H,1-2H3/p+1/b13-12+;;;;;;;
InChIKeyQTQMLNPSDBTMDM-DZXJXAODSA-O
MW2205.71 g/mol
LogP28.05
Rot. Bonds45

About hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate

hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate (PubChem CID 160515874) has the molecular formula C136H155O26+ and a molecular weight of 2205.71 g/mol. Its IUPAC name is hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate.

Molecular Properties

Compound Namehydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate
PubChem CID160515874
Molecular FormulaC136H155O26+
Molecular Weight2205.71 g/mol
Exact Mass2204.08
IUPAC Namehydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate
SMILESCO/C=C/C(C)(C)c1ccc(OC)c(OCc2ccccc2)c1.COC(=O)C(C)(C)c1ccc(OC)c(OCc2ccccc2)c1.COC(=O)Cc1ccc(OC)c(OCc2ccccc2)c1.COc1ccc(C(C)(C)C=O)cc1OCc1ccccc1.COc1ccc(C(C)(C)CC=O)cc1OCc1ccccc1.COc1ccc(C(C)(C)CO)cc1OCc1ccccc1.COc1ccc(C(C)=O)cc1O.COc1ccc(C(C)=O)cc1OCc1ccccc1.[H+]
InChIInChI=1S/C20H24O3.C19H22O4.C19H22O3.C18H22O3.C18H20O3.C17H18O4.C16H16O3.C9H10O3/c1-20(2,12-13-21-3)17-10-11-18(22-4)19(14-17)23-15-16-8-6-5-7-9-16;1-19(2,18(20)22-4)15-10-11-16(21-3)17(12-15)23-13-14-8-6-5-7-9-14;1-19(2,11-12-20)16-9-10-17(21-3)18(13-16)22-14-15-7-5-4-6-8-15;2*1-18(2,13-19)15-9-10-16(20-3)17(11-15)21-12-14-7-5-4-6-8-14;1-19-15-9-8-14(11-17(18)20-2)10-16(15)21-12-13-6-4-3-5-7-13;1-12(17)14-8-9-15(18-2)16(10-14)19-11-13-6-4-3-5-7-13;1-6(10)7-3-4-9(12-2)8(11)5-7/h5-14H,15H2,1-4H3;5-12H,13H2,1-4H3;4-10,12-13H,11,14H2,1-3H3;4-11,19H,12-13H2,1-3H3;4-11,13H,12H2,1-3H3;3-10H,11-12H2,1-2H3;3-10H,11H2,1-2H3;3-5,11H,1-2H3/p+1/b13-12+;;;;;;;
InChIKeyQTQMLNPSDBTMDM-DZXJXAODSA-O
XLogP28.05
TPSA309.02 Ų
H-Bond Donors2
H-Bond Acceptors26
Rotatable Bonds45
Heavy Atoms162
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002205.71
LogP ≤ 528.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1026

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate with MolForge

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Related Compounds

1-methoxy-4-(4-methoxy-2-methylbut-3-en-2-yl)-2-phenylmethoxybenzene
CID 72521218
4-methoxy-N-methyl-3-phenylmethoxybenzamide
CID 138553454
methyl 2-(3-chloro-4-phenylmethoxyphenyl)acetate
CID 561937
4-[(4-methoxy-3-phenylmethoxyphenyl)methylamino]-2,2-dimethylbutanoic acid
CID 122126712
4-methoxy-3-phenylmethoxybenzamide
CID 22467475
[2-(4-methoxy-3-phenylmethoxyphenyl)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)acetate
CID 101165003
methyl 2-[3-methoxy-4-[(4-methoxyphenyl)methoxy]phenyl]acetate
CID 134307216
1-(4-methoxy-3-phenylmethoxyphenyl)-2-(3,4,5-trimethoxyphenyl)ethane-1,2-dione
CID 141465485
tert-butyl N-[2-formyl-1-methoxy-3-(4-methoxy-3-phenylmethoxyphenyl)propan-2-yl]carbamate
CID 123615845
4-tert-butyl-N-[[(4-tert-butylbenzoyl)amino]-(4-methoxy-3-phenylmethoxyphenyl)methyl]benzamide
CID 18890174
2,2,2-trifluoro-1-(4-methoxy-3-phenylmethoxyphenyl)ethanone
CID 83951245
methyl 3-[3,4-bis(phenylmethoxy)phenyl]-3-oxopropanoate
CID 142350282

Frequently Asked Questions

What is the IUPAC name of hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate?
The IUPAC name of hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate (CID 160515874) is hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate.
What is the SMILES notation for hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate?
The canonical SMILES for hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate is CO/C=C/C(C)(C)c1ccc(OC)c(OCc2ccccc2)c1.COC(=O)C(C)(C)c1ccc(OC)c(OCc2ccccc2)c1.COC(=O)Cc1ccc(OC)c(OCc2ccccc2)c1.COc1ccc(C(C)(C)C=O)cc1OCc1ccccc1.COc1ccc(C(C)(C)CC=O)cc1OCc1ccccc1.COc1ccc(C(C)(C)CO)cc1OCc1ccccc1.COc1ccc(C(C)=O)cc1O.COc1ccc(C(C)=O)cc1OCc1ccccc1.[H+].
What is the InChIKey of hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate?
The InChIKey is QTQMLNPSDBTMDM-DZXJXAODSA-O. The full InChI is InChI=1S/C20H24O3.C19H22O4.C19H22O3.C18H22O3.C18H20O3.C17H18O4.C16H16O3.C9H10O3/c1-20(2,12-13-21-3)17-10-11-18(22-4)19(14-17)23-15-16-8-6-5-7-9-16;1-19(2,18(20)22-4)15-10-11-16(21-3)17(12-15)23-13-14-8-6-5-7-9-14;1-19(2,11-12-20)16-9-10-17(21-3)18(13-16)22-14-15-7-5-4-6-8-15;2*1-18(2,13-19)15-9-10-16(20-3)17(11-15)21-12-14-7-5-4-6-8-14;1-19-15-9-8-14(11-17(18)20-2)10-16(15)21-12-13-6-4-3-5-7-13;1-12(17)14-8-9-15(18-2)16(10-14)19-11-13-6-4-3-5-7-13;1-6(10)7-3-4-9(12-2)8(11)5-7/h5-14H,15H2,1-4H3;5-12H,13H2,1-4H3;4-10,12-13H,11,14H2,1-3H3;4-11,19H,12-13H2,1-3H3;4-11,13H,12H2,1-3H3;3-10H,11-12H2,1-2H3;3-10H,11H2,1-2H3;3-5,11H,1-2H3/p+1/b13-12+;;;;;;;.
What are the key properties of hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate?
hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate has a molecular weight of 2205.71 g/mol, XLogP of 28.05, 45 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;1-(3-hydroxy-4-methoxyphenyl)ethanone;1-methoxy-4-[(E)-4-methoxy-2-methylbut-3-en-2-yl]-2-phenylmethoxybenzene;1-(4-methoxy-3-phenylmethoxyphenyl)ethanone;3-(4-methoxy-3-phenylmethoxyphenyl)-3-methylbutanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanal;2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropan-1-ol;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)acetate;methyl 2-(4-methoxy-3-phenylmethoxyphenyl)-2-methylpropanoate is sourced from PubChem (CID 160515874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).