1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene

C20H20O2 — CID 144731565

IUPAC1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene
SMILESCOc1ccc(C2=CCC(c3ccc(OC)cc3)C=C2)cc1
InChIInChI=1S/C20H20O2/c1-21-19-11-7-17(8-12-19)15-3-5-16(6-4-15)18-9-13-20(22-2)14-10-18/h3-5,7-14,16H,6H2,1-2H3
InChIKeyCALDQINRNIYJDU-UHFFFAOYSA-N
MW292.38 g/mol
LogP4.83
Rot. Bonds4

About 1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene

1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene (PubChem CID 144731565) has the molecular formula C20H20O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene.

Molecular Properties

Compound Name1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene
PubChem CID144731565
Molecular FormulaC20H20O2
Molecular Weight292.38 g/mol
Exact Mass292.15
IUPAC Name1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene
SMILESCOc1ccc(C2=CCC(c3ccc(OC)cc3)C=C2)cc1
InChIInChI=1S/C20H20O2/c1-21-19-11-7-17(8-12-19)15-3-5-16(6-4-15)18-9-13-20(22-2)14-10-18/h3-5,7-14,16H,6H2,1-2H3
InChIKeyCALDQINRNIYJDU-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene?
The IUPAC name of 1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene (CID 144731565) is 1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene.
What is the SMILES notation for 1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene?
The canonical SMILES for 1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene is COc1ccc(C2=CCC(c3ccc(OC)cc3)C=C2)cc1.
What is the InChIKey of 1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene?
The InChIKey is CALDQINRNIYJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O2/c1-21-19-11-7-17(8-12-19)15-3-5-16(6-4-15)18-9-13-20(22-2)14-10-18/h3-5,7-14,16H,6H2,1-2H3.
What are the key properties of 1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene?
1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene has a molecular weight of 292.38 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-4-[4-(4-methoxyphenyl)cyclohexa-1,5-dien-1-yl]benzene is sourced from PubChem (CID 144731565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).