4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one

C15H14O4 — CID 153315843

IUPAC4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one
SMILESC=C(C)CCC(=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C15H14O4/c1-9(2)7-8-11(16)13-14(17)10-5-3-4-6-12(10)19-15(13)18/h3-6,17H,1,7-8H2,2H3
InChIKeyYSXBJXKQVNYUSM-UHFFFAOYSA-N
MW258.27 g/mol
LogP3.04
Rot. Bonds4

About 4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one

4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one (PubChem CID 153315843) has the molecular formula C15H14O4 and a molecular weight of 258.27 g/mol. Its IUPAC name is 4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one
PubChem CID153315843
Molecular FormulaC15H14O4
Molecular Weight258.27 g/mol
Exact Mass258.09
IUPAC Name4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one
SMILESC=C(C)CCC(=O)c1c(O)c2ccccc2oc1=O
InChIInChI=1S/C15H14O4/c1-9(2)7-8-11(16)13-14(17)10-5-3-4-6-12(10)19-15(13)18/h3-6,17H,1,7-8H2,2H3
InChIKeyYSXBJXKQVNYUSM-UHFFFAOYSA-N
XLogP3.04
TPSA67.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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CID 54695440
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CID 118321741
4-hydroxy-N-naphthalen-1-yl-2-oxochromene-3-carboxamide
CID 54748267
3-[2-(4-chlorophenoxy)acetyl]-4-hydroxychromen-2-one
CID 54684404
acetic acid;3-benzyl-4-hydroxychromen-2-one;methane
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[1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]urea
CID 135444488
[(Z)-1-(4-hydroxy-2-oxochromen-3-yl)ethylideneamino]urea
CID 136884261
4-hydroxy-3-methylchromen-2-one
CID 54687016
4-hydroxy-3-[3-(4-hydroxy-2-oxochromen-3-yl)-2-oxopropyl]chromen-2-one
CID 54677997
4-hydroxy-3-[(E)-C-methyl-N-phenylmethoxycarbonimidoyl]chromen-2-one
CID 162651588
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CID 100994271

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one?
The IUPAC name of 4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one (CID 153315843) is 4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one.
What is the SMILES notation for 4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one?
The canonical SMILES for 4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one is C=C(C)CCC(=O)c1c(O)c2ccccc2oc1=O.
What is the InChIKey of 4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one?
The InChIKey is YSXBJXKQVNYUSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O4/c1-9(2)7-8-11(16)13-14(17)10-5-3-4-6-12(10)19-15(13)18/h3-6,17H,1,7-8H2,2H3.
What are the key properties of 4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one?
4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one has a molecular weight of 258.27 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-methylpent-4-enoyl)chromen-2-one is sourced from PubChem (CID 153315843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).