1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene

C20H18O — CID 73415199

IUPAC1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene
SMILESC=CC=Cc1ccc(Oc2ccc(C=CC=C)cc2)cc1
InChIInChI=1S/C20H18O/c1-3-5-7-17-9-13-19(14-10-17)21-20-15-11-18(12-16-20)8-6-4-2/h3-16H,1-2H2
InChIKeyKGGBQQJWRIFEFY-UHFFFAOYSA-N
MW274.36 g/mol
LogP5.88
Rot. Bonds6

About 1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene

1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene (PubChem CID 73415199) has the molecular formula C20H18O and a molecular weight of 274.36 g/mol. Its IUPAC name is 1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene.

Molecular Properties

Compound Name1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene
PubChem CID73415199
Molecular FormulaC20H18O
Molecular Weight274.36 g/mol
Exact Mass274.14
IUPAC Name1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene
SMILESC=CC=Cc1ccc(Oc2ccc(C=CC=C)cc2)cc1
InChIInChI=1S/C20H18O/c1-3-5-7-17-9-13-19(14-10-17)21-20-15-11-18(12-16-20)8-6-4-2/h3-16H,1-2H2
InChIKeyKGGBQQJWRIFEFY-UHFFFAOYSA-N
XLogP5.88
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.36
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-[(1E)-buta-1,3-dienyl]-4-(4-phenoxyphenyl)benzene
CID 141094206
4-[(1Z)-buta-1,3-dienyl]phenol
CID 45082834
4-buta-1,3-dienylaniline
CID 59878075
buta-1,3-dienylbenzene;tetrahydrochloride
CID 173415129
benzene;buta-1,3-dienylbenzene;ethene
CID 174664809
1-phenoxy-4-(2-phenylethenyl)benzene
CID 175482284
1-[(1E)-buta-1,3-dienyl]-4-(trifluoromethyl)benzene
CID 11148298
tris[(4-buta-1,3-dienylphenyl)sulfanyl]stibane
CID 172689484
acetaldehyde;buta-1,3-dienylbenzene
CID 173416032
1-N,4-N-bis[4-(4-ethenylphenoxy)phenyl]benzene-1,4-diamine
CID 139419448
[(1E,3Z)-hexa-1,3,5-trienyl]benzene
CID 12714123
2-[4-[(1E)-buta-1,3-dienyl]phenyl]acetic acid
CID 143366229

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene?
The IUPAC name of 1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene (CID 73415199) is 1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene.
What is the SMILES notation for 1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene?
The canonical SMILES for 1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene is C=CC=Cc1ccc(Oc2ccc(C=CC=C)cc2)cc1.
What is the InChIKey of 1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene?
The InChIKey is KGGBQQJWRIFEFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18O/c1-3-5-7-17-9-13-19(14-10-17)21-20-15-11-18(12-16-20)8-6-4-2/h3-16H,1-2H2.
What are the key properties of 1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene?
1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene has a molecular weight of 274.36 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dienyl-4-(4-buta-1,3-dienylphenoxy)benzene is sourced from PubChem (CID 73415199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).