1,5-diphenylpenta-1,4-dien-3-one;hydrochloride

C17H15ClO — CID 70139846

IUPAC1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
SMILESCl.O=C(C=Cc1ccccc1)C=Cc1ccccc1
InChIInChI=1S/C17H14O.ClH/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h1-14H;1H
InChIKeyCAAQBRKOAURIKO-UHFFFAOYSA-N
MW270.76 g/mol
LogP4.40
Rot. Bonds4

About 1,5-diphenylpenta-1,4-dien-3-one;hydrochloride

1,5-diphenylpenta-1,4-dien-3-one;hydrochloride (PubChem CID 70139846) has the molecular formula C17H15ClO and a molecular weight of 270.76 g/mol. Its IUPAC name is 1,5-diphenylpenta-1,4-dien-3-one;hydrochloride.

Molecular Properties

Compound Name1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
PubChem CID70139846
Molecular FormulaC17H15ClO
Molecular Weight270.76 g/mol
Exact Mass270.08
IUPAC Name1,5-diphenylpenta-1,4-dien-3-one;hydrochloride
SMILESCl.O=C(C=Cc1ccccc1)C=Cc1ccccc1
InChIInChI=1S/C17H14O.ClH/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h1-14H;1H
InChIKeyCAAQBRKOAURIKO-UHFFFAOYSA-N
XLogP4.40
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one
CID 157206787
carbanide;bis((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);palladium(2+)
CID 161273372
azane;1,5-diphenylpenta-1,4-dien-3-one
CID 172776077
(1Z,4Z)-1,5-diphenylpenta-1,4-dien-3-one;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;palladium
CID 154825040
tris((1E,4E)-1,5-diphenylpenta-1,4-dien-3-one);bis(palladium)
CID 140752753
(4E)-1,5-diphenylpenta-1,4-dien-3-one;propan-2-one
CID 158678637
(2E,5E)-4-oxo-6-phenylhexa-2,5-dienoic acid
CID 14270149
cesium;carbonic acid;tris(1,5-diphenylpenta-1,4-dien-3-one);hydride;bis(palladium)
CID 174910906
(1Z,4E)-1-hydroxy-5-phenylpenta-1,4-dien-3-one
CID 12748773
chloroform;(1E,4E)-1,5-diphenylpenta-1,4-dien-3-one;bis(palladium)
CID 102565376
chloroform;tris(1,5-diphenylpenta-1,4-dien-3-one);palladium
CID 24983555
(1Z,4E)-1,5-diphenylpenta-1,4-dien-3-one;triphenylphosphane
CID 87515115

Frequently Asked Questions

What is the IUPAC name of 1,5-diphenylpenta-1,4-dien-3-one;hydrochloride?
The IUPAC name of 1,5-diphenylpenta-1,4-dien-3-one;hydrochloride (CID 70139846) is 1,5-diphenylpenta-1,4-dien-3-one;hydrochloride.
What is the SMILES notation for 1,5-diphenylpenta-1,4-dien-3-one;hydrochloride?
The canonical SMILES for 1,5-diphenylpenta-1,4-dien-3-one;hydrochloride is Cl.O=C(C=Cc1ccccc1)C=Cc1ccccc1.
What is the InChIKey of 1,5-diphenylpenta-1,4-dien-3-one;hydrochloride?
The InChIKey is CAAQBRKOAURIKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O.ClH/c18-17(13-11-15-7-3-1-4-8-15)14-12-16-9-5-2-6-10-16;/h1-14H;1H.
What are the key properties of 1,5-diphenylpenta-1,4-dien-3-one;hydrochloride?
1,5-diphenylpenta-1,4-dien-3-one;hydrochloride has a molecular weight of 270.76 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-diphenylpenta-1,4-dien-3-one;hydrochloride is sourced from PubChem (CID 70139846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).