1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride

C21H17Cl — CID 175335155

IUPAC1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride
SMILESC(=Cc1ccccc1)=C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H16.ClH/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-16H;1H
InChIKeyABUQAIJBPWEARK-UHFFFAOYSA-N
MW304.82 g/mol
LogP5.85
Rot. Bonds3

About 1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride

1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride (PubChem CID 175335155) has the molecular formula C21H17Cl and a molecular weight of 304.82 g/mol. Its IUPAC name is 1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride.

Molecular Properties

Compound Name1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride
PubChem CID175335155
Molecular FormulaC21H17Cl
Molecular Weight304.82 g/mol
Exact Mass304.10
IUPAC Name1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride
SMILESC(=Cc1ccccc1)=C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C21H16.ClH/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-16H;1H
InChIKeyABUQAIJBPWEARK-UHFFFAOYSA-N
XLogP5.85
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.82
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(4-methyl-1-phenylpenta-1,2-dien-3-yl)benzene
CID 10633480
CID 150789549
CID 150789549
1,5-diphenylpenta-1,2-dien-3-ylbenzene
CID 134978580
1,3,3-triphenyl(1,2,3-13C3)propa-1,2-dienylbenzene
CID 15621535
2-methyl-5,5-diphenylpenta-3,4-dien-2-ol
CID 606056
[(4E)-3-methylhexa-1,2,4-trienyl]benzene
CID 53467438
methyl 2-methylidene-3,5-diphenylpenta-3,4-dienoate
CID 102496059
2,2-diphenylethenylidenetungsten
CID 11081645
3-[3-(4-methoxyphenyl)-1-phenylpropa-1,2-dienyl]-2-phenylindazole
CID 132573052
hexa-1,2,3,5-tetraenylbenzene
CID 91806604
4-methylpenta-1,2,3-trienylbenzene
CID 11805007
CID 173126547
CID 173126547

Frequently Asked Questions

What is the IUPAC name of 1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride?
The IUPAC name of 1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride (CID 175335155) is 1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride.
What is the SMILES notation for 1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride?
The canonical SMILES for 1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride is C(=Cc1ccccc1)=C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of 1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride?
The InChIKey is ABUQAIJBPWEARK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16.ClH/c1-4-10-18(11-5-1)16-17-21(19-12-6-2-7-13-19)20-14-8-3-9-15-20;/h1-16H;1H.
What are the key properties of 1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride?
1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 5.85, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenylpropa-1,2-dienylbenzene;hydrochloride is sourced from PubChem (CID 175335155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).