[3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene

C19H20 — CID 123713817

IUPAC[3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene
SMILESCC1=CC=CC(C2=CCCC(c3ccccc3)=C2)C1
InChIInChI=1S/C19H20/c1-15-7-5-10-17(13-15)19-12-6-11-18(14-19)16-8-3-2-4-9-16/h2-5,7-10,12,14,17H,6,11,13H2,1H3
InChIKeyMWPJGRXIEYGOPI-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.31
Rot. Bonds2

About [3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene

[3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene (PubChem CID 123713817) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is [3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene.

Molecular Properties

Compound Name[3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene
PubChem CID123713817
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name[3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene
SMILESCC1=CC=CC(C2=CCCC(c3ccccc3)=C2)C1
InChIInChI=1S/C19H20/c1-15-7-5-10-17(13-15)19-12-6-11-18(14-19)16-8-3-2-4-9-16/h2-5,7-10,12,14,17H,6,11,13H2,1H3
InChIKeyMWPJGRXIEYGOPI-UHFFFAOYSA-N
XLogP5.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-(5-methylcyclohexa-2,4-dien-1-yl)-4,6-diphenyl-1,3,5-triazine
CID 134186431
3-[2-[3-(5-carbazol-9-ylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]propan-2-yl]-4-methyl-N-phenyl-N-[4-(4-phenylphenyl)phenyl]aniline
CID 166895445
(1R)-3-phenylcyclohex-3-en-1-amine
CID 175905363
(5-methylcyclohexen-1-yl)benzene
CID 56998306
9-methyl-2-(5-phenylcyclohexa-2,4-dien-1-yl)-4,4a-dihydro-1,10-phenanthroline
CID 167107198
6-(5-phenylcyclohexa-2,4-dien-1-yl)cyclohexa-2,4-dien-1-amine
CID 163424579
9-(5-cyclohexa-1,5-dien-1-yl-3-cyclohexa-2,4-dien-1-ylcyclohexa-1,3-dien-1-yl)-10-phenylanthracene
CID 123534233
N-methyl-N-[3-[5-(5-methylcyclohexa-1,3-dien-1-yl)cyclohexa-1,5-dien-1-yl]cyclohexa-1,3-dien-1-yl]aniline
CID 88988355
(4S)-6-cyclohexa-1,3-dien-1-yl-2-[5-(4,5-diphenylcyclohexa-1,5-dien-1-yl)cyclohexa-1,3-dien-1-yl]-4-(4-phenylcyclohexa-2,4-dien-1-yl)-4,5-dihydropyrimidine
CID 167119193
2-(4-methylphenyl)-1,8a-dihydronaphthalene
CID 140765452
3-[3-[5-(3-bromocyclohexa-1,3-dien-1-yl)-3-[5-(3,4-dihydropyridin-5-yl)cyclohexa-2,4-dien-1-yl]cyclohexa-2,4-dien-1-yl]phenyl]-1,2-dihydropyridine
CID 89001335
2,6-dimethyl-4-phenyl-2,3-dihydropyridine
CID 167254517

Frequently Asked Questions

What is the IUPAC name of [3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene?
The IUPAC name of [3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene (CID 123713817) is [3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene.
What is the SMILES notation for [3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene?
The canonical SMILES for [3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene is CC1=CC=CC(C2=CCCC(c3ccccc3)=C2)C1.
What is the InChIKey of [3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene?
The InChIKey is MWPJGRXIEYGOPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-15-7-5-10-17(13-15)19-12-6-11-18(14-19)16-8-3-2-4-9-16/h2-5,7-10,12,14,17H,6,11,13H2,1H3.
What are the key properties of [3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene?
[3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene has a molecular weight of 248.37 g/mol, XLogP of 5.31, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5-methylcyclohexa-2,4-dien-1-yl)cyclohexa-1,3-dien-1-yl]benzene is sourced from PubChem (CID 123713817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).