1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene

C34H38O6 — CID 172870468

IUPAC1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
SMILESCOc1cccc(CCc2cc(-c3cc(CCc4cccc(OC)c4)c(OC)cc3OC)c(OC)cc2OC)c1
InChIInChI=1S/C34H38O6/c1-35-27-11-7-9-23(17-27)13-15-25-19-29(33(39-5)21-31(25)37-3)30-20-26(32(38-4)22-34(30)40-6)16-14-24-10-8-12-28(18-24)36-2/h7-12,17-22H,13-16H2,1-6H3
InChIKeyLYLAUYMVOZWUBN-UHFFFAOYSA-N
MW542.67 g/mol
LogP6.98
Rot. Bonds13

About 1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene

1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene (PubChem CID 172870468) has the molecular formula C34H38O6 and a molecular weight of 542.67 g/mol. Its IUPAC name is 1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
PubChem CID172870468
Molecular FormulaC34H38O6
Molecular Weight542.67 g/mol
Exact Mass542.27
IUPAC Name1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
SMILESCOc1cccc(CCc2cc(-c3cc(CCc4cccc(OC)c4)c(OC)cc3OC)c(OC)cc2OC)c1
InChIInChI=1S/C34H38O6/c1-35-27-11-7-9-23(17-27)13-15-25-19-29(33(39-5)21-31(25)37-3)30-20-26(32(38-4)22-34(30)40-6)16-14-24-10-8-12-28(18-24)36-2/h7-12,17-22H,13-16H2,1-6H3
InChIKeyLYLAUYMVOZWUBN-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

1,5-dimethoxy-2-[2-(4-methoxyphenyl)ethyl]-4-[4-[2-(3-methoxyphenyl)ethyl]phenoxy]benzene
CID 172871445
1-[5-[2-(3,5-dimethoxyphenyl)ethyl]-2-methoxyphenoxy]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
CID 172871343
4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]phenyl]ethyl]phenol
CID 172871379
4,6-bis[2-(3-methoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870856
4-[2-[4-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-methoxyphenyl]ethyl]-2-methoxyphenol
CID 172871341
4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol
CID 172870584
4-methoxy-2-[2-(3-methoxyphenyl)ethyl]-1-methylbenzene
CID 13300063
1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene
CID 172870474
2,4-dimethoxy-1-[(3-methoxyphenyl)methyl]benzene
CID 173405518
5-[2-[5-[5-[2-(3,5-dihydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]benzene-1,3-diol
CID 172870578
1-methoxy-3-propylbenzene
CID 14270128
1,4-dimethoxy-2,5-bis(2-phenylethyl)benzene
CID 102449129

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene?
The IUPAC name of 1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene (CID 172870468) is 1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene is COc1cccc(CCc2cc(-c3cc(CCc4cccc(OC)c4)c(OC)cc3OC)c(OC)cc2OC)c1.
What is the InChIKey of 1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene?
The InChIKey is LYLAUYMVOZWUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H38O6/c1-35-27-11-7-9-23(17-27)13-15-25-19-29(33(39-5)21-31(25)37-3)30-20-26(32(38-4)22-34(30)40-6)16-14-24-10-8-12-28(18-24)36-2/h7-12,17-22H,13-16H2,1-6H3.
What are the key properties of 1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene?
1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-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-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene is sourced from PubChem (CID 172870468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).