4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one

C26H30O3 — CID 177372129

IUPAC4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one
SMILESCCCC(CCc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1
InChIInChI=1S/C26H30O3/c1-3-11-21(17-16-19-12-7-5-8-13-19)24-18-23(27)25(26(28)29-24)22(4-2)20-14-9-6-10-15-20/h5-10,12-15,18,21-22,27H,3-4,11,16-17H2,1-2H3
InChIKeyNHEVUEZMGNBNFK-UHFFFAOYSA-N
MW390.52 g/mol
LogP6.40
Rot. Bonds9

About 4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one

4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one (PubChem CID 177372129) has the molecular formula C26H30O3 and a molecular weight of 390.52 g/mol. Its IUPAC name is 4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one
PubChem CID177372129
Molecular FormulaC26H30O3
Molecular Weight390.52 g/mol
Exact Mass390.22
IUPAC Name4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one
SMILESCCCC(CCc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1
InChIInChI=1S/C26H30O3/c1-3-11-21(17-16-19-12-7-5-8-13-19)24-18-23(27)25(26(28)29-24)22(4-2)20-14-9-6-10-15-20/h5-10,12-15,18,21-22,27H,3-4,11,16-17H2,1-2H3
InChIKeyNHEVUEZMGNBNFK-UHFFFAOYSA-N
XLogP6.40
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.52
LogP ≤ 56.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-hydroxy-6-(1-naphthalen-2-ylbutan-2-yl)-3-(1-phenylpropyl)pyran-2-one
CID 54720642
4-hydroxy-6-[(1R,2R)-1-hydroxy-1-(4-hydroxyphenyl)butan-2-yl]-3-(1-phenylpropyl)pyran-2-one
CID 70104683
3-(1,2-diphenylethyl)-4-hydroxy-6-(2-phenylethyl)pyran-2-one
CID 57299730
3-(1,3-diphenylpropyl)-4-hydroxychromen-2-one
CID 54711496
[1-(2,4-diphenylbutyl)-3-phenylhexyl]benzene
CID 119080873
4,8-dihydroxy-3-(1-phenylpropyl)chromen-2-one
CID 71441489
6-[1-(3-bromophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one
CID 54720648
6-[1-(4-bromophenyl)butan-2-yl]-3-[cyclopropyl(phenyl)methyl]-4-hydroxypyran-2-one
CID 54720598
4-hydroxy-3-(1-phenylpropyl)-6-[4-(pyridin-3-ylmethoxy)phenyl]pyran-2-one
CID 54681354
4-hydroxy-3-[1-(4-hydroxyphenyl)propyl]chromen-2-one
CID 54704412
3-[1-(4-ethylphenyl)butyl]-4-hydroxychromen-2-one
CID 54724918
6-[1-(2-cyclopropylcyclopropyl)propan-2-yl]-3-(1,3-diphenylpropan-2-yl)-4-hydroxypyran-2-one
CID 150123426

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one?
The IUPAC name of 4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one (CID 177372129) is 4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one?
The canonical SMILES for 4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one is CCCC(CCc1ccccc1)c1cc(O)c(C(CC)c2ccccc2)c(=O)o1.
What is the InChIKey of 4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one?
The InChIKey is NHEVUEZMGNBNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30O3/c1-3-11-21(17-16-19-12-7-5-8-13-19)24-18-23(27)25(26(28)29-24)22(4-2)20-14-9-6-10-15-20/h5-10,12-15,18,21-22,27H,3-4,11,16-17H2,1-2H3.
What are the key properties of 4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one?
4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one has a molecular weight of 390.52 g/mol, XLogP of 6.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-(1-phenylhexan-3-yl)-3-(1-phenylpropyl)pyran-2-one is sourced from PubChem (CID 177372129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).