1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride

C17H19ClO2 — CID 44585753

IUPAC1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride
SMILESCl.O=C(CCc1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C17H18O2.ClH/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15;/h1-10,17,19H,11-13H2;1H
InChIKeyYKFOOYASCXIKFV-UHFFFAOYSA-N
MW290.79 g/mol
LogP3.73
Rot. Bonds6

About 1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride

1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride (PubChem CID 44585753) has the molecular formula C17H19ClO2 and a molecular weight of 290.79 g/mol. Its IUPAC name is 1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride.

Molecular Properties

Compound Name1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride
PubChem CID44585753
Molecular FormulaC17H19ClO2
Molecular Weight290.79 g/mol
Exact Mass290.11
IUPAC Name1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride
SMILESCl.O=C(CCc1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C17H18O2.ClH/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15;/h1-10,17,19H,11-13H2;1H
InChIKeyYKFOOYASCXIKFV-UHFFFAOYSA-N
XLogP3.73
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.79
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride?
The IUPAC name of 1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride (CID 44585753) is 1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride.
What is the SMILES notation for 1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride?
The canonical SMILES for 1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride is Cl.O=C(CCc1ccccc1)CC(O)c1ccccc1.
What is the InChIKey of 1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride?
The InChIKey is YKFOOYASCXIKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2.ClH/c18-16(12-11-14-7-3-1-4-8-14)13-17(19)15-9-5-2-6-10-15;/h1-10,17,19H,11-13H2;1H.
What are the key properties of 1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride?
1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride has a molecular weight of 290.79 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,5-diphenylpentan-3-one;hydrochloride is sourced from PubChem (CID 44585753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).