4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one

C22H20O5 — CID 135789483

IUPAC4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one
SMILESCCCOc1ccc2ccccc2c1/C=C/C(=O)c1c(O)cc(C)oc1=O
InChIInChI=1S/C22H20O5/c1-3-12-26-20-11-8-15-6-4-5-7-16(15)17(20)9-10-18(23)21-19(24)13-14(2)27-22(21)25/h4-11,13,24H,3,12H2,1-2H3/b10-9+
InChIKeyONEVGWPYZMJOOX-MDZDMXLPSA-N
MW364.40 g/mol
LogP4.49
Rot. Bonds6

About 4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one

4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one (PubChem CID 135789483) has the molecular formula C22H20O5 and a molecular weight of 364.40 g/mol. Its IUPAC name is 4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one.

Molecular Properties

Compound Name4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one
PubChem CID135789483
Molecular FormulaC22H20O5
Molecular Weight364.40 g/mol
Exact Mass364.13
IUPAC Name4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one
SMILESCCCOc1ccc2ccccc2c1/C=C/C(=O)c1c(O)cc(C)oc1=O
InChIInChI=1S/C22H20O5/c1-3-12-26-20-11-8-15-6-4-5-7-16(15)17(20)9-10-18(23)21-19(24)13-14(2)27-22(21)25/h4-11,13,24H,3,12H2,1-2H3/b10-9+
InChIKeyONEVGWPYZMJOOX-MDZDMXLPSA-N
XLogP4.49
TPSA76.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-hydroxy-6-methyl-3-[(E)-3-(2-prop-2-enoxyphenyl)prop-2-enoyl]pyran-2-one
CID 135677198
4-hydroxy-6-methyl-3-[(E)-3-(2-phenylmethoxyphenyl)prop-2-enoyl]pyran-2-one
CID 135708428
3-[(E)-3-(3-ethoxy-4-hydroxyphenyl)prop-2-enoyl]-4-hydroxy-6-methylpyran-2-one
CID 135789465
4-hydroxy-6-methyl-3-[(Z)-3-quinolin-4-ylprop-2-enoyl]pyran-2-one
CID 136866903
3-[3-(3,4-dimethoxyphenyl)prop-2-enoyl]-4-hydroxy-6-methylpyran-2-one
CID 135405991
3-[3-(2,3-dimethoxyphenyl)prop-2-enoyl]-4-hydroxy-6-methylpyran-2-one
CID 135520926
4-hydroxy-3-[(E)-3-(2-hydroxy-3-methoxyphenyl)prop-2-enoyl]-6-methylpyran-2-one
CID 135400437
ethane;4-hydroxy-6-methyl-3-[(2E,4E)-5-phenylpenta-2,4-dienoyl]pyran-2-one
CID 143583119
3-[2-(2-naphthalen-2-yloxyethoxy)naphthalen-1-yl]prop-2-enoic acid
CID 20993650
3-[3-(3-chlorophenyl)prop-2-enoyl]-4-hydroxy-6-methylpyran-2-one
CID 139993666
3-[(E)-3-(1-butyl-5-chloro-3-methylpyrazol-4-yl)prop-2-enoyl]-4-hydroxy-6-methylpyran-2-one
CID 135789498
4-hydroxy-3-[(E)-3-(4-hydroxy-3,5-dimethylphenyl)prop-2-enoyl]-6-methylpyran-2-one
CID 135789481

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one?
The IUPAC name of 4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one (CID 135789483) is 4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one.
What is the SMILES notation for 4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one?
The canonical SMILES for 4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one is CCCOc1ccc2ccccc2c1/C=C/C(=O)c1c(O)cc(C)oc1=O.
What is the InChIKey of 4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one?
The InChIKey is ONEVGWPYZMJOOX-MDZDMXLPSA-N. The full InChI is InChI=1S/C22H20O5/c1-3-12-26-20-11-8-15-6-4-5-7-16(15)17(20)9-10-18(23)21-19(24)13-14(2)27-22(21)25/h4-11,13,24H,3,12H2,1-2H3/b10-9+.
What are the key properties of 4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one?
4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one has a molecular weight of 364.40 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-methyl-3-[(E)-3-(2-propoxynaphthalen-1-yl)prop-2-enoyl]pyran-2-one is sourced from PubChem (CID 135789483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).