1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride

C18H21ClO2 — CID 44585755

IUPAC1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride
SMILESCl.O=C(CCCc1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C18H20O2.ClH/c19-17(13-7-10-15-8-3-1-4-9-15)14-18(20)16-11-5-2-6-12-16;/h1-6,8-9,11-12,18,20H,7,10,13-14H2;1H
InChIKeyNHNLXNZMAUMJOX-UHFFFAOYSA-N
MW304.82 g/mol
LogP4.12
Rot. Bonds7

About 1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride

1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride (PubChem CID 44585755) has the molecular formula C18H21ClO2 and a molecular weight of 304.82 g/mol. Its IUPAC name is 1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride.

Molecular Properties

Compound Name1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride
PubChem CID44585755
Molecular FormulaC18H21ClO2
Molecular Weight304.82 g/mol
Exact Mass304.12
IUPAC Name1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride
SMILESCl.O=C(CCCc1ccccc1)CC(O)c1ccccc1
InChIInChI=1S/C18H20O2.ClH/c19-17(13-7-10-15-8-3-1-4-9-15)14-18(20)16-11-5-2-6-12-16;/h1-6,8-9,11-12,18,20H,7,10,13-14H2;1H
InChIKeyNHNLXNZMAUMJOX-UHFFFAOYSA-N
XLogP4.12
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.82
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride?
The IUPAC name of 1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride (CID 44585755) is 1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride.
What is the SMILES notation for 1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride?
The canonical SMILES for 1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride is Cl.O=C(CCCc1ccccc1)CC(O)c1ccccc1.
What is the InChIKey of 1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride?
The InChIKey is NHNLXNZMAUMJOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2.ClH/c19-17(13-7-10-15-8-3-1-4-9-15)14-18(20)16-11-5-2-6-12-16;/h1-6,8-9,11-12,18,20H,7,10,13-14H2;1H.
What are the key properties of 1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride?
1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride has a molecular weight of 304.82 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-1,6-diphenylhexan-3-one;hydrochloride is sourced from PubChem (CID 44585755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).