2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene

C22H22O4 — CID 172792841

IUPAC2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(-c2ccc(-c3cc(OC)ccc3OC)cc2)c1
InChIInChI=1S/C22H22O4/c1-23-17-9-11-21(25-3)19(13-17)15-5-7-16(8-6-15)20-14-18(24-2)10-12-22(20)26-4/h5-14H,1-4H3
InChIKeyPUQGTGYCCPACEG-UHFFFAOYSA-N
MW350.41 g/mol
LogP5.05
Rot. Bonds6

About 2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene

2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene (PubChem CID 172792841) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene.

Molecular Properties

Compound Name2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
PubChem CID172792841
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene
SMILESCOc1ccc(OC)c(-c2ccc(-c3cc(OC)ccc3OC)cc2)c1
InChIInChI=1S/C22H22O4/c1-23-17-9-11-21(25-3)19(13-17)15-5-7-16(8-6-15)20-14-18(24-2)10-12-22(20)26-4/h5-14H,1-4H3
InChIKeyPUQGTGYCCPACEG-UHFFFAOYSA-N
XLogP5.05
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.41
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-2,4-bis(4-methoxyphenyl)benzene
CID 102598609
4-(2,5-dimethoxyphenyl)-2-methylphenol
CID 53219026
4-(2,5-dimethoxyphenyl)-2-fluorophenol
CID 53219549
1-(4-bromophenoxy)-4-methoxy-2-(4-methoxyphenyl)benzene
CID 141409053
1-[4-(2,5-dimethoxyphenyl)phenyl]cyclopropane-1-carboxylic acid
CID 82039519
5-(2,5-dimethoxyphenyl)pyridine-2-carboxylic acid
CID 53211472
5-(2,5-dimethoxyphenyl)pyridin-3-ol
CID 53217947
4-methoxy-1-[4-(4-methylphenyl)phenoxy]-2-phenylbenzene
CID 23542258
6-(2,5-dimethoxyphenyl)-2-hydroxycyclohepta-2,4,6-trien-1-one
CID 71476627
4-[4-(2,5-dimethoxyphenyl)phenyl]piperazine-1-carboxylic acid
CID 69366638
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
2-[4-(2,5-dimethoxyphenyl)phenoxy]nonadecanenitrile
CID 175602339

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene?
The IUPAC name of 2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene (CID 172792841) is 2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene.
What is the SMILES notation for 2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene?
The canonical SMILES for 2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene is COc1ccc(OC)c(-c2ccc(-c3cc(OC)ccc3OC)cc2)c1.
What is the InChIKey of 2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene?
The InChIKey is PUQGTGYCCPACEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-23-17-9-11-21(25-3)19(13-17)15-5-7-16(8-6-15)20-14-18(24-2)10-12-22(20)26-4/h5-14H,1-4H3.
What are the key properties of 2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene?
2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene has a molecular weight of 350.41 g/mol, XLogP of 5.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,5-dimethoxyphenyl)phenyl]-1,4-dimethoxybenzene is sourced from PubChem (CID 172792841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).