6-(4-acetyl-2-methoxyphenoxy)hexan-2-one

C15H20O4 — CID 62029689

IUPAC6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
SMILESCOc1cc(C(C)=O)ccc1OCCCCC(C)=O
InChIInChI=1S/C15H20O4/c1-11(16)6-4-5-9-19-14-8-7-13(12(2)17)10-15(14)18-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyFOKUFSLTZDWAKN-UHFFFAOYSA-N
MW264.32 g/mol
LogP3.04
Rot. Bonds8

About 6-(4-acetyl-2-methoxyphenoxy)hexan-2-one

6-(4-acetyl-2-methoxyphenoxy)hexan-2-one (PubChem CID 62029689) has the molecular formula C15H20O4 and a molecular weight of 264.32 g/mol. Its IUPAC name is 6-(4-acetyl-2-methoxyphenoxy)hexan-2-one.

Molecular Properties

Compound Name6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
PubChem CID62029689
Molecular FormulaC15H20O4
Molecular Weight264.32 g/mol
Exact Mass264.14
IUPAC Name6-(4-acetyl-2-methoxyphenoxy)hexan-2-one
SMILESCOc1cc(C(C)=O)ccc1OCCCCC(C)=O
InChIInChI=1S/C15H20O4/c1-11(16)6-4-5-9-19-14-8-7-13(12(2)17)10-15(14)18-3/h7-8,10H,4-6,9H2,1-3H3
InChIKeyFOKUFSLTZDWAKN-UHFFFAOYSA-N
XLogP3.04
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 ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(2-methoxy-4-methylphenoxy)hexan-2-one
CID 43793668
1-[3-methoxy-4-(3-methoxypropoxy)phenyl]ethanone
CID 60778711
1-[3-methoxy-4-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]phenyl]ethanone
CID 91376507
1-[3-methoxy-4-(3-methylsulfonylpropoxy)phenyl]ethanone
CID 63191642
4-[3-(4-carboxy-2-methoxyphenoxy)propoxy]-3-methoxybenzoic acid
CID 11132553
4-[5-(4-carboxy-2-methoxyphenoxy)pentoxy]-3-methoxybenzoic acid
CID 15329160
1-(3-butoxy-4-methoxyphenyl)ethanone
CID 21189688
1-[3-methoxy-4-[4-(4-methylpiperazin-1-yl)butoxy]phenyl]ethanone;hydrochloride
CID 2992980
6-(4-acetyl-2-methoxyphenoxy)-2,2-dimethylhexanenitrile
CID 106710593
3-[2-(4-acetyl-2-methoxyphenoxy)acetyl]oxypropyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 24677627
1-(3,4-diheptoxyphenyl)ethanone
CID 23127596
1-[3,4-di(nonoxy)phenyl]ethanone
CID 23127426

Frequently Asked Questions

What is the IUPAC name of 6-(4-acetyl-2-methoxyphenoxy)hexan-2-one?
The IUPAC name of 6-(4-acetyl-2-methoxyphenoxy)hexan-2-one (CID 62029689) is 6-(4-acetyl-2-methoxyphenoxy)hexan-2-one.
What is the SMILES notation for 6-(4-acetyl-2-methoxyphenoxy)hexan-2-one?
The canonical SMILES for 6-(4-acetyl-2-methoxyphenoxy)hexan-2-one is COc1cc(C(C)=O)ccc1OCCCCC(C)=O.
What is the InChIKey of 6-(4-acetyl-2-methoxyphenoxy)hexan-2-one?
The InChIKey is FOKUFSLTZDWAKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O4/c1-11(16)6-4-5-9-19-14-8-7-13(12(2)17)10-15(14)18-3/h7-8,10H,4-6,9H2,1-3H3.
What are the key properties of 6-(4-acetyl-2-methoxyphenoxy)hexan-2-one?
6-(4-acetyl-2-methoxyphenoxy)hexan-2-one has a molecular weight of 264.32 g/mol, XLogP of 3.04, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-acetyl-2-methoxyphenoxy)hexan-2-one is sourced from PubChem (CID 62029689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).