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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Related Compounds

N-[4-[4-[4-[N-(2,3-dihydro-1H-inden-5-yl)-4-methoxyanilino]phenyl]cyclohexa-2,4-dien-1-yl]phenyl]-N-(4-methoxyphenyl)-2,3-dihydro-1H-inden-5-amine
CID 70938531
1-(4-ethoxycyclohexa-2,4-dien-1-yl)-4-methoxybenzene
CID 167163425
4-(4-phenylcyclohexa-1,5-dien-1-yl)-N-[4-(4-phenylphenyl)phenyl]-N-[4-[4-(4-phenylphenyl)phenyl]phenyl]aniline
CID 134194276
4-[4-[4-[4-(3-hydroxybutoxy)-3-methylphenyl]cyclohexa-2,4-dien-1-yl]phenoxy]butan-2-ol
CID 174668725
4-[4-[4-(2,6-dipyridin-2-yl-4-pyridinyl)cyclohexa-2,4-dien-1-yl]phenyl]-2,6-dipyridin-2-ylpyridine
CID 159878535
(1R,4R,5R)-5-(4-methoxyphenyl)bicyclo[2.2.1]hept-2-ene
CID 102014475
1-[(1R)-cyclohex-2-en-1-yl]-4-methoxybenzene
CID 11435403
2-(4-methoxyphenyl)-1,2-dihydrophenanthrene
CID 174873984
1-cyclohexyl-4-(4-methoxyphenyl)benzene;ethene
CID 144983864
1-methoxy-4-(4-methylcyclohexen-1-yl)benzene
CID 3765590
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropen-1-yl]benzene
CID 86037545
7-[4-[2,3-bis(4-methoxyphenyl)-7,8-dihydroquinoxalin-6-yl]phenyl]-2-(4-methoxycyclohexa-1,5-dien-1-yl)-3-(4-methoxyphenyl)-5,6-dihydroquinoxaline
CID 71013588

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).