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

C21H20O3 — CID 11537051

IUPAC1,3-dimethoxy-5-[2-(4-methoxyphenyl)phenyl]benzene
SMILESCOc1ccc(-c2ccccc2-c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C21H20O3/c1-22-17-10-8-15(9-11-17)20-6-4-5-7-21(20)16-12-18(23-2)14-19(13-16)24-3/h4-14H,1-3H3
InChIKeyYTEAKYDIQLKHMB-UHFFFAOYSA-N
MW320.39 g/mol
LogP5.05
Rot. Bonds5

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

1,3-dimethoxy-5-[2-(4-methoxyphenyl)phenyl]benzene (PubChem CID 11537051) has the molecular formula C21H20O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 1,3-dimethoxy-5-[2-(4-methoxyphenyl)phenyl]benzene.

Molecular Properties

Compound Name1,3-dimethoxy-5-[2-(4-methoxyphenyl)phenyl]benzene
PubChem CID11537051
Molecular FormulaC21H20O3
Molecular Weight320.39 g/mol
Exact Mass320.14
IUPAC Name1,3-dimethoxy-5-[2-(4-methoxyphenyl)phenyl]benzene
SMILESCOc1ccc(-c2ccccc2-c2cc(OC)cc(OC)c2)cc1
InChIInChI=1S/C21H20O3/c1-22-17-10-8-15(9-11-17)20-6-4-5-7-21(20)16-12-18(23-2)14-19(13-16)24-3/h4-14H,1-3H3
InChIKeyYTEAKYDIQLKHMB-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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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethoxy-5-[2-(4-methoxyphenyl)phenyl]benzene?
The IUPAC name of 1,3-dimethoxy-5-[2-(4-methoxyphenyl)phenyl]benzene (CID 11537051) is 1,3-dimethoxy-5-[2-(4-methoxyphenyl)phenyl]benzene.
What is the SMILES notation for 1,3-dimethoxy-5-[2-(4-methoxyphenyl)phenyl]benzene?
The canonical SMILES for 1,3-dimethoxy-5-[2-(4-methoxyphenyl)phenyl]benzene is COc1ccc(-c2ccccc2-c2cc(OC)cc(OC)c2)cc1.
What is the InChIKey of 1,3-dimethoxy-5-[2-(4-methoxyphenyl)phenyl]benzene?
The InChIKey is YTEAKYDIQLKHMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O3/c1-22-17-10-8-15(9-11-17)20-6-4-5-7-21(20)16-12-18(23-2)14-19(13-16)24-3/h4-14H,1-3H3.
What are the key properties of 1,3-dimethoxy-5-[2-(4-methoxyphenyl)phenyl]benzene?
1,3-dimethoxy-5-[2-(4-methoxyphenyl)phenyl]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 1,3-dimethoxy-5-[2-(4-methoxyphenyl)phenyl]benzene is sourced from PubChem (CID 11537051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).