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

C18H20O3 — CID 42601470

IUPAC1-hydroxy-6-(4-hydroxyphenyl)-1-phenylhexan-3-one
SMILESO=C(CCCc1ccc(O)cc1)CC(O)c1ccccc1
InChIInChI=1S/C18H20O3/c19-16-11-9-14(10-12-16)5-4-8-17(20)13-18(21)15-6-2-1-3-7-15/h1-3,6-7,9-12,18-19,21H,4-5,8,13H2
InChIKeyNAAMVSLPGQYEHL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.41
Rot. Bonds7

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

1-hydroxy-6-(4-hydroxyphenyl)-1-phenylhexan-3-one (PubChem CID 42601470) has the molecular formula C18H20O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-hydroxy-6-(4-hydroxyphenyl)-1-phenylhexan-3-one.

Molecular Properties

Compound Name1-hydroxy-6-(4-hydroxyphenyl)-1-phenylhexan-3-one
PubChem CID42601470
Molecular FormulaC18H20O3
Molecular Weight284.36 g/mol
Exact Mass284.14
IUPAC Name1-hydroxy-6-(4-hydroxyphenyl)-1-phenylhexan-3-one
SMILESO=C(CCCc1ccc(O)cc1)CC(O)c1ccccc1
InChIInChI=1S/C18H20O3/c19-16-11-9-14(10-12-16)5-4-8-17(20)13-18(21)15-6-2-1-3-7-15/h1-3,6-7,9-12,18-19,21H,4-5,8,13H2
InChIKeyNAAMVSLPGQYEHL-UHFFFAOYSA-N
XLogP3.41
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 ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-6-(4-hydroxyphenyl)-1-phenylhexan-3-one?
The IUPAC name of 1-hydroxy-6-(4-hydroxyphenyl)-1-phenylhexan-3-one (CID 42601470) is 1-hydroxy-6-(4-hydroxyphenyl)-1-phenylhexan-3-one.
What is the SMILES notation for 1-hydroxy-6-(4-hydroxyphenyl)-1-phenylhexan-3-one?
The canonical SMILES for 1-hydroxy-6-(4-hydroxyphenyl)-1-phenylhexan-3-one is O=C(CCCc1ccc(O)cc1)CC(O)c1ccccc1.
What is the InChIKey of 1-hydroxy-6-(4-hydroxyphenyl)-1-phenylhexan-3-one?
The InChIKey is NAAMVSLPGQYEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O3/c19-16-11-9-14(10-12-16)5-4-8-17(20)13-18(21)15-6-2-1-3-7-15/h1-3,6-7,9-12,18-19,21H,4-5,8,13H2.
What are the key properties of 1-hydroxy-6-(4-hydroxyphenyl)-1-phenylhexan-3-one?
1-hydroxy-6-(4-hydroxyphenyl)-1-phenylhexan-3-one has a molecular weight of 284.36 g/mol, XLogP of 3.41, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-6-(4-hydroxyphenyl)-1-phenylhexan-3-one is sourced from PubChem (CID 42601470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).