2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one

C22H24O3 — CID 54691000

IUPAC2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one
SMILESCCC(C1=C(O)CC(CC)(c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C22H24O3/c1-3-18(16-11-7-5-8-12-16)20-19(23)15-22(4-2,25-21(20)24)17-13-9-6-10-14-17/h5-14,18,23H,3-4,15H2,1-2H3
InChIKeyHYWVWEZJWZDXEL-UHFFFAOYSA-N
MW336.43 g/mol
LogP5.24
Rot. Bonds5

About 2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one

2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one (PubChem CID 54691000) has the molecular formula C22H24O3 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one.

Molecular Properties

Compound Name2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one
PubChem CID54691000
Molecular FormulaC22H24O3
Molecular Weight336.43 g/mol
Exact Mass336.17
IUPAC Name2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one
SMILESCCC(C1=C(O)CC(CC)(c2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C22H24O3/c1-3-18(16-11-7-5-8-12-16)20-19(23)15-22(4-2,25-21(20)24)17-13-9-6-10-14-17/h5-14,18,23H,3-4,15H2,1-2H3
InChIKeyHYWVWEZJWZDXEL-UHFFFAOYSA-N
XLogP5.24
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.43
LogP ≤ 55.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

U-96988
CID 54686718
Hhpp-cpo
CID 54684772
5,6,7,8,9,10-Hexahydro-4-hydroxy-3-(1-phenylpropyl)cycloocta[B]pyran-2-one
CID 54685311
4-hydroxy-6-(2-phenylethyl)-3-(1-phenylpropyl)-2H-pyran-2-one
CID 54688880
4-hydroxy-3-(1-phenylbutyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one
CID 54688882
4-hydroxy-3-(2-methyl-1-phenylpropyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one
CID 54688883
3-(diphenylmethyl)-4-hydroxy-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one
CID 54688884
Ethoxydiphenylacetic acid
CID 24119
Propanedioic acid, 2-phenyl-, 1-(phenylmethyl) ester
CID 117278
4-hydroxy-3-(1-phenylpentyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one
CID 54688005
4-hydroxy-3-(3-methyl-1-phenylbutyl)-2H,5H,6H,7H,8H,9H,10H-cycloocta[b]pyran-2-one
CID 54688006
6,7,8,9-Tetrahydro-4-hydroxy-3-(1-phenylpropyl)cyclohepta[B]pyran-2-one
CID 54708746

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one?
The IUPAC name of 2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one (CID 54691000) is 2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one.
What is the SMILES notation for 2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one?
The canonical SMILES for 2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one is CCC(C1=C(O)CC(CC)(c2ccccc2)OC1=O)c1ccccc1.
What is the InChIKey of 2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one?
The InChIKey is HYWVWEZJWZDXEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24O3/c1-3-18(16-11-7-5-8-12-16)20-19(23)15-22(4-2,25-21(20)24)17-13-9-6-10-14-17/h5-14,18,23H,3-4,15H2,1-2H3.
What are the key properties of 2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one?
2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one has a molecular weight of 336.43 g/mol, XLogP of 5.24, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-4-hydroxy-2-phenyl-5-(1-phenylpropyl)-3H-pyran-6-one is sourced from PubChem (CID 54691000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).