1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene

C22H22O4 — CID 139197183

IUPAC1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(-c2ccc(-c3cc(OC)cc(OC)c3)cc2)c1
InChIInChI=1S/C22H22O4/c1-23-19-9-17(10-20(13-19)24-2)15-5-7-16(8-6-15)18-11-21(25-3)14-22(12-18)26-4/h5-14H,1-4H3
InChIKeyMCOVIINYSXENDT-UHFFFAOYSA-N
MW350.41 g/mol
LogP5.05
Rot. Bonds6

About 1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene

1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene (PubChem CID 139197183) has the molecular formula C22H22O4 and a molecular weight of 350.41 g/mol. Its IUPAC name is 1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
PubChem CID139197183
Molecular FormulaC22H22O4
Molecular Weight350.41 g/mol
Exact Mass350.15
IUPAC Name1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(-c2ccc(-c3cc(OC)cc(OC)c3)cc2)c1
InChIInChI=1S/C22H22O4/c1-23-19-9-17(10-20(13-19)24-2)15-5-7-16(8-6-15)18-11-21(25-3)14-22(12-18)26-4/h5-14H,1-4H3
InChIKeyMCOVIINYSXENDT-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

1,3-dimethoxy-5-phenylbenzene
CID 11469945
1,3-bis(4-fluorophenyl)-5-methoxybenzene
CID 137385203
1,3-dimethoxy-5-(4-nitrophenyl)benzene
CID 101434697
1,4-bis(3,5-dimethoxyphenyl)-2,3,5,6-tetraphenylbenzene
CID 102293642
9,10-bis(3,5-dimethoxyphenyl)anthracene
CID 11961931
phosphane;1,3,5-trimethoxybenzene
CID 175232895
5-(3,5-dimethoxyphenyl)-2-methylpyridine
CID 155135020
1-[4-(4-methoxyphenyl)phenyl]-3,5-diphenylbenzene
CID 176774050
(2R)-1-[4-(3,5-dimethoxyphenyl)phenyl]-N-methylpropan-2-amine
CID 69022765
1-fluoro-3-methoxy-5-(4-methylsulfanylphenyl)benzene
CID 70699755
1,3-difluoro-5-(4-methoxyphenyl)benzene
CID 11499528
1-methoxy-3-[4-(4-methoxyphenyl)phenyl]benzene
CID 25138852

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene?
The IUPAC name of 1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene (CID 139197183) is 1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene.
What is the SMILES notation for 1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene?
The canonical SMILES for 1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene is COc1cc(OC)cc(-c2ccc(-c3cc(OC)cc(OC)c3)cc2)c1.
What is the InChIKey of 1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene?
The InChIKey is MCOVIINYSXENDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4/c1-23-19-9-17(10-20(13-19)24-2)15-5-7-16(8-6-15)18-11-21(25-3)14-22(12-18)26-4/h5-14H,1-4H3.
What are the key properties of 1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene?
1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-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 1-[4-(3,5-dimethoxyphenyl)phenyl]-3,5-dimethoxybenzene is sourced from PubChem (CID 139197183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).