5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one

C18H20O3 — CID 42613351

IUPAC5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one
SMILESO=C(CCc1ccc(O)cc1)CC(O)Cc1ccccc1
InChIInChI=1S/C18H20O3/c19-16-9-6-14(7-10-16)8-11-17(20)13-18(21)12-15-4-2-1-3-5-15/h1-7,9-10,18-19,21H,8,11-13H2
InChIKeyVCYPQOKOSXRSOW-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.89
Rot. Bonds7

About 5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one

5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one (PubChem CID 42613351) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one.

Molecular Properties

Compound Name5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one
PubChem CID42613351
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one
SMILESO=C(CCc1ccc(O)cc1)CC(O)Cc1ccccc1
InChIInChI=1S/C18H20O3/c19-16-9-6-14(7-10-16)8-11-17(20)13-18(21)12-15-4-2-1-3-5-15/h1-7,9-10,18-19,21H,8,11-13H2
InChIKeyVCYPQOKOSXRSOW-UHFFFAOYSA-N
XLogP2.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one?
The IUPAC name of 5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one (CID 42613351) is 5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one.
What is the SMILES notation for 5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one?
The canonical SMILES for 5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one is O=C(CCc1ccc(O)cc1)CC(O)Cc1ccccc1.
What is the InChIKey of 5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one?
The InChIKey is VCYPQOKOSXRSOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c19-16-9-6-14(7-10-16)8-11-17(20)13-18(21)12-15-4-2-1-3-5-15/h1-7,9-10,18-19,21H,8,11-13H2.
What are the key properties of 5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one?
5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one has a molecular weight of 284.36 g/mol, XLogP of 2.89, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-1-(4-hydroxyphenyl)-6-phenylhexan-3-one is sourced from PubChem (CID 42613351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).