1-methoxy-2,4-bis(4-methoxyphenyl)benzene

C21H20O3 — CID 102598609

IUPAC1-methoxy-2,4-bis(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(OC)c(-c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C21H20O3/c1-22-18-9-4-15(5-10-18)17-8-13-21(24-3)20(14-17)16-6-11-19(23-2)12-7-16/h4-14H,1-3H3
InChIKeyIUANPZKXMGCGHL-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.05
Rot. Bonds5

About 1-methoxy-2,4-bis(4-methoxyphenyl)benzene

1-methoxy-2,4-bis(4-methoxyphenyl)benzene (PubChem CID 102598609) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1-methoxy-2,4-bis(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1-methoxy-2,4-bis(4-methoxyphenyl)benzene
PubChem CID102598609
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name1-methoxy-2,4-bis(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2ccc(OC)c(-c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C21H20O3/c1-22-18-9-4-15(5-10-18)17-8-13-21(24-3)20(14-17)16-6-11-19(23-2)12-7-16/h4-14H,1-3H3
InChIKeyIUANPZKXMGCGHL-UHFFFAOYSA-N
XLogP5.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500320.39
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
CID 172792841
2-chloro-1-methoxy-4-(4-methoxyphenyl)benzene
CID 58270167
3-[4-methoxy-3-(4-methoxyphenyl)phenyl]-1,2-oxazole
CID 54225371
2-(4-methoxyphenyl)-1,4-diphenylbenzene
CID 132547745
2-[2-methoxy-4-(4-methoxyphenyl)phenoxy]ethanol
CID 145389562
2-[4-methoxy-3-(4-methoxyphenyl)phenyl]acetic acid
CID 176513640
2-methoxy-5-(4-methoxyphenyl)benzonitrile
CID 59113876
2-methoxy-6-(4-methoxyphenyl)naphthalene
CID 11149734
1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene
CID 141409053
4-(2,5-dimethoxyphenyl)-2-methylphenol
CID 53219026
2-methoxybicyclo[3.1.1]hepta-1,3,5(7)-trien-6-one
CID 174663603
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,4-bis(4-methoxyphenyl)benzene?
The IUPAC name of 1-methoxy-2,4-bis(4-methoxyphenyl)benzene (CID 102598609) is 1-methoxy-2,4-bis(4-methoxyphenyl)benzene.
What is the SMILES notation for 1-methoxy-2,4-bis(4-methoxyphenyl)benzene?
The canonical SMILES for 1-methoxy-2,4-bis(4-methoxyphenyl)benzene is COc1ccc(-c2ccc(OC)c(-c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 1-methoxy-2,4-bis(4-methoxyphenyl)benzene?
The InChIKey is IUANPZKXMGCGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-22-18-9-4-15(5-10-18)17-8-13-21(24-3)20(14-17)16-6-11-19(23-2)12-7-16/h4-14H,1-3H3.
What are the key properties of 1-methoxy-2,4-bis(4-methoxyphenyl)benzene?
1-methoxy-2,4-bis(4-methoxyphenyl)benzene has a molecular weight of 320.39 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,4-bis(4-methoxyphenyl)benzene is sourced from PubChem (CID 102598609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).