1,3-bis(4-methoxyphenyl)benzene

C20H18O2 — CID 4608762

IUPAC1,3-bis(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2cccc(-c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C20H18O2/c1-21-19-10-6-15(7-11-19)17-4-3-5-18(14-17)16-8-12-20(22-2)13-9-16/h3-14H,1-2H3
InChIKeyCNIVKSMELXXQAZ-UHFFFAOYSA-N
MW290.36 g/mol
LogP5.04
Rot. Bonds4

About 1,3-bis(4-methoxyphenyl)benzene

1,3-bis(4-methoxyphenyl)benzene (PubChem CID 4608762) has the molecular formula C20H18O2 and a molecular weight of 290.36 g/mol. Its IUPAC name is 1,3-bis(4-methoxyphenyl)benzene.

Molecular Properties

Compound Name1,3-bis(4-methoxyphenyl)benzene
PubChem CID4608762
Molecular FormulaC20H18O2
Molecular Weight290.36 g/mol
Exact Mass290.13
IUPAC Name1,3-bis(4-methoxyphenyl)benzene
SMILESCOc1ccc(-c2cccc(-c3ccc(OC)cc3)c2)cc1
InChIInChI=1S/C20H18O2/c1-21-19-10-6-15(7-11-19)17-4-3-5-18(14-17)16-8-12-20(22-2)13-9-16/h3-14H,1-2H3
InChIKeyCNIVKSMELXXQAZ-UHFFFAOYSA-N
XLogP5.04
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.36
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-bis(4-methoxyphenyl)benzene?
The IUPAC name of 1,3-bis(4-methoxyphenyl)benzene (CID 4608762) is 1,3-bis(4-methoxyphenyl)benzene.
What is the SMILES notation for 1,3-bis(4-methoxyphenyl)benzene?
The canonical SMILES for 1,3-bis(4-methoxyphenyl)benzene is COc1ccc(-c2cccc(-c3ccc(OC)cc3)c2)cc1.
What is the InChIKey of 1,3-bis(4-methoxyphenyl)benzene?
The InChIKey is CNIVKSMELXXQAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O2/c1-21-19-10-6-15(7-11-19)17-4-3-5-18(14-17)16-8-12-20(22-2)13-9-16/h3-14H,1-2H3.
What are the key properties of 1,3-bis(4-methoxyphenyl)benzene?
1,3-bis(4-methoxyphenyl)benzene has a molecular weight of 290.36 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(4-methoxyphenyl)benzene is sourced from PubChem (CID 4608762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).