5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione

C15H20O4 — CID 43321414

IUPAC5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione
SMILESCOCCC(=O)CC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H20O4/c1-11(2)19-14-6-4-12(5-7-14)15(17)10-13(16)8-9-18-3/h4-7,11H,8-10H2,1-3H3
InChIKeyKWLKAVQZXZPPJI-UHFFFAOYSA-N
MW264.32 g/mol
LogP2.65
Rot. Bonds8

About 5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione

5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione (PubChem CID 43321414) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione.

Molecular Properties

Compound Name5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione
PubChem CID43321414
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione
SMILESCOCCC(=O)CC(=O)c1ccc(OC(C)C)cc1
InChIInChI=1S/C15H20O4/c1-11(2)19-14-6-4-12(5-7-14)15(17)10-13(16)8-9-18-3/h4-7,11H,8-10H2,1-3H3
InChIKeyKWLKAVQZXZPPJI-UHFFFAOYSA-N
XLogP2.65
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-methoxyethoxy)-4-propan-2-yloxybenzamide
CID 79676602
5-methoxy-1-(4-propylphenyl)pentane-1,3-dione
CID 43321437
3-ethoxy-1-(4-propan-2-yloxyphenyl)propan-1-one
CID 105097425
3-methoxy-1-[4-(2-methylpropoxy)phenyl]propan-1-one
CID 82050414
1-(4-propan-2-yloxyphenyl)pentan-1-one
CID 2170743
4-hydroxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 98014339
4-ethoxy-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 105097430
4-propan-2-yloxy-N-[2-[(4-propan-2-yloxybenzoyl)amino]ethyl]benzamide
CID 4952415
4-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 82341479
tris[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl] phosphate
CID 139615221
dimethyl-[2-oxo-2-(4-propan-2-yloxyphenyl)ethyl]sulfanium
CID 139727794
3-amino-1-(4-propan-2-yloxyphenyl)butan-1-one
CID 81463114

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione?
The IUPAC name of 5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione (CID 43321414) is 5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione.
What is the SMILES notation for 5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione?
The canonical SMILES for 5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione is COCCC(=O)CC(=O)c1ccc(OC(C)C)cc1.
What is the InChIKey of 5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione?
The InChIKey is KWLKAVQZXZPPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11(2)19-14-6-4-12(5-7-14)15(17)10-13(16)8-9-18-3/h4-7,11H,8-10H2,1-3H3.
What are the key properties of 5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione?
5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione has a molecular weight of 264.32 g/mol, XLogP of 2.65, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-(4-propan-2-yloxyphenyl)pentane-1,3-dione is sourced from PubChem (CID 43321414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).