4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol

C34H38O8 — CID 172870617

IUPAC4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol
SMILESCOc1cc(CCc2ccc(OC)c(OC)c2)c(-c2cc(O)c(OC)cc2CCc2ccc(OC)c(OC)c2)cc1O
InChIInChI=1S/C34H38O8/c1-37-29-13-9-21(15-33(29)41-5)7-11-23-17-31(39-3)27(35)19-25(23)26-20-28(36)32(40-4)18-24(26)12-8-22-10-14-30(38-2)34(16-22)42-6/h9-10,13-20,35-36H,7-8,11-12H2,1-6H3
InChIKeyRNBIGICBZVZJRM-UHFFFAOYSA-N
MW574.67 g/mol
LogP6.39
Rot. Bonds13

About 4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol

4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol (PubChem CID 172870617) has the molecular formula C34H38O8 and a molecular weight of 574.67 g/mol. Its IUPAC name is 4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol
PubChem CID172870617
Molecular FormulaC34H38O8
Molecular Weight574.67 g/mol
Exact Mass574.26
IUPAC Name4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol
SMILESCOc1cc(CCc2ccc(OC)c(OC)c2)c(-c2cc(O)c(OC)cc2CCc2ccc(OC)c(OC)c2)cc1O
InChIInChI=1S/C34H38O8/c1-37-29-13-9-21(15-33(29)41-5)7-11-23-17-31(39-3)27(35)19-25(23)26-20-28(36)32(40-4)18-24(26)12-8-22-10-14-30(38-2)34(16-22)42-6/h9-10,13-20,35-36H,7-8,11-12H2,1-6H3
InChIKeyRNBIGICBZVZJRM-UHFFFAOYSA-N
XLogP6.39
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.67
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(3,4-dimethoxyphenyl)ethyl]-5-[4-[2-(3,4-dimethoxyphenyl)ethyl]-2,5-dihydroxyphenyl]benzene-1,4-diol
CID 172870659
4-[2-(3,4-dimethoxyphenyl)ethyl]-6-[5-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dihydroxyphenyl]benzene-1,3-diol
CID 172870583
4-[2-(3,4-dimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465876
4-[2-[4-[4-[2-(3,4-dihydroxyphenyl)ethyl]-2,5-dimethoxyphenyl]-2,5-dimethoxyphenyl]ethyl]benzene-1,2-diol
CID 172870660
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene
CID 172870969
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
CID 54567492
5-[4-(3-hydroxy-4-methoxyphenyl)butyl]-2-methoxyphenol
CID 57066187
4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol
CID 172871341
1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
2-(3,4-dimethoxyphenyl)-N-[2-(4-hydroxy-3-methoxyphenyl)ethyl]acetamide
CID 73292355
1-(2-azidoethyl)-2-[2-(3,4-dimethoxyphenyl)ethyl]-4,5-dimethoxybenzene
CID 167439814
4-[9-(3,4-dimethoxyphenyl)nonyl]phenol
CID 10736998

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol?
The IUPAC name of 4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol (CID 172870617) is 4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol is COc1cc(CCc2ccc(OC)c(OC)c2)c(-c2cc(O)c(OC)cc2CCc2ccc(OC)c(OC)c2)cc1O.
What is the InChIKey of 4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol?
The InChIKey is RNBIGICBZVZJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O8/c1-37-29-13-9-21(15-33(29)41-5)7-11-23-17-31(39-3)27(35)19-25(23)26-20-28(36)32(40-4)18-24(26)12-8-22-10-14-30(38-2)34(16-22)42-6/h9-10,13-20,35-36H,7-8,11-12H2,1-6H3.
What are the key properties of 4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol?
4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol has a molecular weight of 574.67 g/mol, XLogP of 6.39, 13 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol is sourced from PubChem (CID 172870617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).