6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one

C15H22O4 — CID 106802063

IUPAC6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one
SMILESCCC(=O)CCCOc1c(OC)cc(C)cc1OC
InChIInChI=1S/C15H22O4/c1-5-12(16)7-6-8-19-15-13(17-3)9-11(2)10-14(15)18-4/h9-10H,5-8H2,1-4H3
InChIKeyIIUSNMGZUZOQHU-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.15
Rot. Bonds8

About 6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one

6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one (PubChem CID 106802063) has the molecular formula C15H22O4 and a molecular weight of 266.34 g/mol. Its IUPAC name is 6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one.

Molecular Properties

Compound Name6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one
PubChem CID106802063
Molecular FormulaC15H22O4
Molecular Weight266.34 g/mol
Exact Mass266.15
IUPAC Name6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one
SMILESCCC(=O)CCCOc1c(OC)cc(C)cc1OC
InChIInChI=1S/C15H22O4/c1-5-12(16)7-6-8-19-15-13(17-3)9-11(2)10-14(15)18-4/h9-10H,5-8H2,1-4H3
InChIKeyIIUSNMGZUZOQHU-UHFFFAOYSA-N
XLogP3.15
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.15
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

ethyl 3-(2,6-dimethoxy-4-methylphenoxy)propanoate
CID 43174180
6-(2-bromo-6-methoxyphenoxy)hexan-3-one
CID 106802157
ethyl 4-(4-acetyl-2,6-dimethoxyphenoxy)butanoate
CID 86752782
methyl 4-(2,6-dimethoxy-4-methylphenoxy)-2-ethylbut-2-enoate
CID 77101024
4-(3,4,5-trimethoxyphenoxy)butanoic acid
CID 11219431
4-butoxy-3,5-dimethoxybenzamide
CID 3027029
6-(4-fluoro-2-methylphenoxy)hexan-3-one
CID 106802146
3,5-dimethoxy-4-octadecoxybenzoic acid
CID 70585475
4-hexoxy-3,5-dimethoxybenzoic acid
CID 10265785
N-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]-3-methoxypropan-1-amine
CID 62599477
1-bromo-3-methoxy-5-methyl-2-propoxybenzene
CID 19887974
5-(2,6-dimethoxyphenoxy)pentan-2-one
CID 43793515

Frequently Asked Questions

What is the IUPAC name of 6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one?
The IUPAC name of 6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one (CID 106802063) is 6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one.
What is the SMILES notation for 6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one?
The canonical SMILES for 6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one is CCC(=O)CCCOc1c(OC)cc(C)cc1OC.
What is the InChIKey of 6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one?
The InChIKey is IIUSNMGZUZOQHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O4/c1-5-12(16)7-6-8-19-15-13(17-3)9-11(2)10-14(15)18-4/h9-10H,5-8H2,1-4H3.
What are the key properties of 6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one?
6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one has a molecular weight of 266.34 g/mol, XLogP of 3.15, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,6-dimethoxy-4-methylphenoxy)hexan-3-one is sourced from PubChem (CID 106802063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).