5-methoxy-1-(4-propylphenyl)pentane-1,3-dione

C15H20O3 — CID 43321437

IUPAC5-methoxy-1-(4-propylphenyl)pentane-1,3-dione
SMILESCCCc1ccc(C(=O)CC(=O)CCOC)cc1
InChIInChI=1S/C15H20O3/c1-3-4-12-5-7-13(8-6-12)15(17)11-14(16)9-10-18-2/h5-8H,3-4,9-11H2,1-2H3
InChIKeyPDUYCRHEQZQFOS-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.82
Rot. Bonds8

About 5-methoxy-1-(4-propylphenyl)pentane-1,3-dione

5-methoxy-1-(4-propylphenyl)pentane-1,3-dione (PubChem CID 43321437) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 5-methoxy-1-(4-propylphenyl)pentane-1,3-dione.

Molecular Properties

Compound Name5-methoxy-1-(4-propylphenyl)pentane-1,3-dione
PubChem CID43321437
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name5-methoxy-1-(4-propylphenyl)pentane-1,3-dione
SMILESCCCc1ccc(C(=O)CC(=O)CCOC)cc1
InChIInChI=1S/C15H20O3/c1-3-4-12-5-7-13(8-6-12)15(17)11-14(16)9-10-18-2/h5-8H,3-4,9-11H2,1-2H3
InChIKeyPDUYCRHEQZQFOS-UHFFFAOYSA-N
XLogP2.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

methyl 4-oxo-4-(4-propylphenyl)butanoate
CID 82116427
1-(4-hexylphenyl)-3-methoxypropan-1-one
CID 82050296
5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione
CID 43321414
1-(4-ethylphenyl)hexane-1,3-dione
CID 61393286
formaldehyde;1-(4-propylphenyl)butan-1-one
CID 143969560
1-[4-(4-pentylphenyl)phenyl]heptane-1,3-dione
CID 20503237
5-methoxy-1-(3-methylphenyl)pentane-1,3-dione
CID 61308941
methyl 2-[2-oxo-2-(4-propylphenyl)ethyl]sulfanylacetate
CID 43414117
N'-hydroxy-4-propylbenzohydrazide
CID 18359035
1-(4-propylphenyl)decan-1-one
CID 65449493
methyl 4-[4-(4-propylphenyl)phenyl]benzoate
CID 142331537
1-(4-methoxyphenyl)-2-(4-propylphenyl)ethanone
CID 71380079

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-propylphenyl)pentane-1,3-dione?
The IUPAC name of 5-methoxy-1-(4-propylphenyl)pentane-1,3-dione (CID 43321437) is 5-methoxy-1-(4-propylphenyl)pentane-1,3-dione.
What is the SMILES notation for 5-methoxy-1-(4-propylphenyl)pentane-1,3-dione?
The canonical SMILES for 5-methoxy-1-(4-propylphenyl)pentane-1,3-dione is CCCc1ccc(C(=O)CC(=O)CCOC)cc1.
What is the InChIKey of 5-methoxy-1-(4-propylphenyl)pentane-1,3-dione?
The InChIKey is PDUYCRHEQZQFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-3-4-12-5-7-13(8-6-12)15(17)11-14(16)9-10-18-2/h5-8H,3-4,9-11H2,1-2H3.
What are the key properties of 5-methoxy-1-(4-propylphenyl)pentane-1,3-dione?
5-methoxy-1-(4-propylphenyl)pentane-1,3-dione has a molecular weight of 248.32 g/mol, XLogP of 2.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-propylphenyl)pentane-1,3-dione is sourced from PubChem (CID 43321437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).