ethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one

C19H20O4 — CID 143583119

IUPACethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one
SMILESCC.Cc1cc(O)c(C(=O)/C=C/C=C/c2ccccc2)c(=O)o1
InChIInChI=1S/C17H14O4.C2H6/c1-12-11-15(19)16(17(20)21-12)14(18)10-6-5-9-13-7-3-2-4-8-13;1-2/h2-11,19H,1H3;1-2H3/b9-5+,10-6+;
InChIKeyYHENIAFDHQDYPU-QJQFWQJTSA-N
MW312.37 g/mol
LogP4.13
Rot. Bonds4

About ethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one

ethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one (PubChem CID 143583119) has the molecular formula C19H20O4 and a molecular weight of 312.37 g/mol. Its IUPAC name is ethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one.

Molecular Properties

Compound Nameethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one
PubChem CID143583119
Molecular FormulaC19H20O4
Molecular Weight312.37 g/mol
Exact Mass312.14
IUPAC Nameethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one
SMILESCC.Cc1cc(O)c(C(=O)/C=C/C=C/c2ccccc2)c(=O)o1
InChIInChI=1S/C17H14O4.C2H6/c1-12-11-15(19)16(17(20)21-12)14(18)10-6-5-9-13-7-3-2-4-8-13;1-2/h2-11,19H,1H3;1-2H3/b9-5+,10-6+;
InChIKeyYHENIAFDHQDYPU-QJQFWQJTSA-N
XLogP4.13
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-6-methyl-3-[(2E,4E,6E)-7-(4-nitrophenyl)hepta-2,4,6-trienoyl]pyran-2-one
CID 136792263
4,6-dimethyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one
CID 59255535
3-[3-(3-chlorophenyl)prop-2-enoyl]-4-hydroxy-6-methylpyran-2-one
CID 139993666
4-hydroxy-6-methyl-3-[3-(4-methylsulfonylphenyl)prop-2-enoyl]pyran-2-one
CID 136647119
4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enoyl]-6-methylpyran-2-one
CID 135789481
4-hydroxy-6-methyl-3-[(E)-3-(5-phenyl-1H-pyrazol-4-yl)prop-2-enoyl]pyran-2-one
CID 135621894
4-hydroxy-6-methyl-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]pyran-2-one
CID 135708428
4-hydroxy-6-methyl-3-[(E)-3-pyrrolidin-1-ylprop-2-enoyl]pyran-2-one
CID 142739744
3-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-hydroxy-6-methylpyran-2-one
CID 135405991
4-hydroxy-6-methyl-3-[(Z)-3-piperidin-1-ylprop-2-enoyl]pyran-2-one
CID 136837053
2-chloro-N-[3-[(E)-3-(4-hydroxy-6-methyl-2-oxopyran-3-yl)-3-oxoprop-1-enyl]phenyl]benzamide
CID 135677179
4-hydroxy-6-methyl-3-[(Z)-3-quinolin-4-ylprop-2-enoyl]pyran-2-one
CID 136866903

Frequently Asked Questions

What is the IUPAC name of ethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one?
The IUPAC name of ethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one (CID 143583119) is ethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one.
What is the SMILES notation for ethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one?
The canonical SMILES for ethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one is CC.Cc1cc(O)c(C(=O)/C=C/C=C/c2ccccc2)c(=O)o1.
What is the InChIKey of ethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one?
The InChIKey is YHENIAFDHQDYPU-QJQFWQJTSA-N. The full InChI is InChI=1S/C17H14O4.C2H6/c1-12-11-15(19)16(17(20)21-12)14(18)10-6-5-9-13-7-3-2-4-8-13;1-2/h2-11,19H,1H3;1-2H3/b9-5+,10-6+;.
What are the key properties of ethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one?
ethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one has a molecular weight of 312.37 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one is sourced from PubChem (CID 143583119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).