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

C38H46O10 — CID 172870474

IUPAC1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene
SMILESCOc1cc(OC)c(-c2cc(CCc3cc(OC)c(OC)c(OC)c3)c(OC)cc2OC)cc1CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C38H46O10/c1-39-29-21-31(41-3)27(19-25(29)13-11-23-15-33(43-5)37(47-9)34(16-23)44-6)28-20-26(30(40-2)22-32(28)42-4)14-12-24-17-35(45-7)38(48-10)36(18-24)46-8/h15-22H,11-14H2,1-10H3
InChIKeyVQBMVFJUUBEHFN-UHFFFAOYSA-N
MW662.78 g/mol
LogP7.01
Rot. Bonds17

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

1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene (PubChem CID 172870474) has the molecular formula C38H46O10 and a molecular weight of 662.78 g/mol. Its IUPAC name is 1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene.

Molecular Properties

Compound Name1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene
PubChem CID172870474
Molecular FormulaC38H46O10
Molecular Weight662.78 g/mol
Exact Mass662.31
IUPAC Name1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene
SMILESCOc1cc(OC)c(-c2cc(CCc3cc(OC)c(OC)c(OC)c3)c(OC)cc2OC)cc1CCc1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C38H46O10/c1-39-29-21-31(41-3)27(19-25(29)13-11-23-15-33(43-5)37(47-9)34(16-23)44-6)28-20-26(30(40-2)22-32(28)42-4)14-12-24-17-35(45-7)38(48-10)36(18-24)46-8/h15-22H,11-14H2,1-10H3
InChIKeyVQBMVFJUUBEHFN-UHFFFAOYSA-N
XLogP7.01
TPSA92.30 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds17
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.78
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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Related Compounds

5-[2-[5-[5-[2-(3,5-dihydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]benzene-1,3-diol
CID 172870578
4-[2-[5-[5-[2-(4-hydroxyphenyl)ethyl]-2,4-dimethoxyphenyl]-2,4-dimethoxyphenyl]ethyl]phenol
CID 172870584
1-[2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3-methoxyphenyl)ethyl]benzene
CID 172870468
2-(3,4,5-trimethoxyphenyl)ethylazanium
CID 6918993
2-(3,4,5-trimethoxyphenyl)ethylsilane
CID 175460216
5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,2,3-triol
CID 172870541
4-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene-1,3-diol
CID 146465805
2-amino-6-methoxy-3-[2-(3,4,5-trimethoxyphenyl)ethyl]phenol
CID 118422161
4-fluoro-2-methoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]aniline
CID 169091123
1,2,3-trimethoxy-5-[2-[4-methoxy-2,3-bis(methoxymethoxy)phenyl]ethyl]benzene
CID 11373561
5-(3-iodopropyl)-1,2,3-trimethoxybenzene
CID 10640570
5-(bromomethyl)-1,2,3-tri((113C)methoxy)benzene
CID 71752807

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene?
The IUPAC name of 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) is 1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene.
What is the SMILES notation for 1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene?
The canonical SMILES for 1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene is COc1cc(OC)c(-c2cc(CCc3cc(OC)c(OC)c(OC)c3)c(OC)cc2OC)cc1CCc1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene?
The InChIKey is VQBMVFJUUBEHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H46O10/c1-39-29-21-31(41-3)27(19-25(29)13-11-23-15-33(43-5)37(47-9)34(16-23)44-6)28-20-26(30(40-2)22-32(28)42-4)14-12-24-17-35(45-7)38(48-10)36(18-24)46-8/h15-22H,11-14H2,1-10H3.
What are the key properties of 1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene?
1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene has a molecular weight of 662.78 g/mol, XLogP of 7.01, 17 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]phenyl]-2,4-dimethoxy-5-[2-(3,4,5-trimethoxyphenyl)ethyl]benzene is sourced from PubChem (CID 172870474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).