1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene

C34H38O6 — CID 172870969

IUPAC1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene
SMILESCOc1ccc(CCc2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C34H38O6/c1-35-27-15-9-23(10-16-27)7-13-25-19-31(37-3)33(39-5)21-29(25)30-22-34(40-6)32(38-4)20-26(30)14-8-24-11-17-28(36-2)18-12-24/h9-12,15-22H,7-8,13-14H2,1-6H3
InChIKeyZRJCJORWMIUOOZ-UHFFFAOYSA-N
MW542.67 g/mol
LogP6.98
Rot. Bonds13

About 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene

1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene (PubChem CID 172870969) has the molecular formula C34H38O6 and a molecular weight of 542.67 g/mol. Its IUPAC name is 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene
PubChem CID172870969
Molecular FormulaC34H38O6
Molecular Weight542.67 g/mol
Exact Mass542.27
IUPAC Name1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene
SMILESCOc1ccc(CCc2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2CCc2ccc(OC)cc2)cc1
InChIInChI=1S/C34H38O6/c1-35-27-15-9-23(10-16-27)7-13-25-19-31(37-3)33(39-5)21-29(25)30-22-34(40-6)32(38-4)20-26(30)14-8-24-11-17-28(36-2)18-12-24/h9-12,15-22H,7-8,13-14H2,1-6H3
InChIKeyZRJCJORWMIUOOZ-UHFFFAOYSA-N
XLogP6.98
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.67
LogP ≤ 56.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1,2-dimethoxy-4-[2-[2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]benzene
CID 170457351
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(4-methoxyphenyl)ethane-1,2-dione
CID 172869663
1-[4-[2-(3,5-dimethoxyphenyl)ethyl]phenoxy]-2,4-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]benzene
CID 172871453
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-2-(3,5-dimethoxyphenyl)ethane-1,2-dione
CID 172869661
6-[2-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]ethyl]-2,3-dihydro-1,4-benzodioxine
CID 171715543
1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871445
1-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dimethoxybenzene
CID 54567492
4-[2-(2,4-dimethoxyphenyl)ethyl]aniline
CID 14256033
4-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2-[2-(3,4-dimethoxyphenyl)ethyl]-5-hydroxy-4-methoxyphenyl]-2-methoxyphenol
CID 172870617
1,3-dimethoxy-5-[2-(4-methoxyphenyl)ethyl]-2-propan-2-ylbenzene
CID 10358281
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129
1,2-dimethoxy-4-[2-[3-[3-[2-(4-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]benzene
CID 172871209

Frequently Asked Questions

What is the IUPAC name of 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene?
The IUPAC name of 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene (CID 172870969) is 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene is COc1ccc(CCc2cc(OC)c(OC)cc2-c2cc(OC)c(OC)cc2CCc2ccc(OC)cc2)cc1.
What is the InChIKey of 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene?
The InChIKey is ZRJCJORWMIUOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O6/c1-35-27-15-9-23(10-16-27)7-13-25-19-31(37-3)33(39-5)21-29(25)30-22-34(40-6)32(38-4)20-26(30)14-8-24-11-17-28(36-2)18-12-24/h9-12,15-22H,7-8,13-14H2,1-6H3.
What are the key properties of 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene?
1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene has a molecular weight of 542.67 g/mol, XLogP of 6.98, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]phenyl]-4,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]benzene is sourced from PubChem (CID 172870969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).