6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one

C15H22O2 — CID 98014751

IUPAC6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
SMILESCOc1cc(C)c(C)cc1CCCCC(C)=O
InChIInChI=1S/C15H22O2/c1-11-9-14(8-6-5-7-13(3)16)15(17-4)10-12(11)2/h9-10H,5-8H2,1-4H3
InChIKeyPUEKTORVOHXZKM-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.61
Rot. Bonds6

About 6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one

6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one (PubChem CID 98014751) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one.

Molecular Properties

Compound Name6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
PubChem CID98014751
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one
SMILESCOc1cc(C)c(C)cc1CCCCC(C)=O
InChIInChI=1S/C15H22O2/c1-11-9-14(8-6-5-7-13(3)16)15(17-4)10-12(11)2/h9-10H,5-8H2,1-4H3
InChIKeyPUEKTORVOHXZKM-UHFFFAOYSA-N
XLogP3.61
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(5-chloro-2-methoxy-4-methylphenyl)pentan-2-one
CID 83937456
methyl 4-(2-methoxy-4,5-dimethylphenyl)butanoate
CID 82350341
5-(5-fluoro-4-methoxy-2-methylphenyl)pentan-2-one
CID 142193890
5-(4-methoxy-2,5-dimethylphenyl)pentanoic acid
CID 93185741
1-[3-(2,5-dimethoxy-4-methylphenyl)propyl]-2,5-dimethoxy-4-methylbenzene
CID 4096780
1-(2,4-dimethoxy-5-methylphenyl)propan-2-one
CID 24721213
2-(2-methoxy-4,5-dimethylphenyl)ethylcarbamic acid
CID 115171106
5-(2,4-dimethoxy-6-methylphenyl)pentan-2-one
CID 116927802
5-[2-methoxy-4-(trifluoromethyl)phenyl]pentan-2-one
CID 83921366
16-(4-acetyl-2,5-dimethoxyphenyl)hexadecanamide
CID 67855239
4-[2-(2-methoxy-4,5-dimethylphenyl)ethylamino]butanoic acid
CID 115218709
methyl 4-(5-chloro-2-methoxy-4-methylphenyl)butanoate
CID 98784589

Frequently Asked Questions

What is the IUPAC name of 6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one?
The IUPAC name of 6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one (CID 98014751) is 6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one.
What is the SMILES notation for 6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one?
The canonical SMILES for 6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one is COc1cc(C)c(C)cc1CCCCC(C)=O.
What is the InChIKey of 6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one?
The InChIKey is PUEKTORVOHXZKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-11-9-14(8-6-5-7-13(3)16)15(17-4)10-12(11)2/h9-10H,5-8H2,1-4H3.
What are the key properties of 6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one?
6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one has a molecular weight of 234.34 g/mol, XLogP of 3.61, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxy-4,5-dimethylphenyl)hexan-2-one is sourced from PubChem (CID 98014751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).