6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one

C15H22O2 — CID 105131637

IUPAC6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one
SMILESCOCCC(C)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C15H22O2/c1-12-4-6-14(7-5-12)8-9-15(16)13(2)10-11-17-3/h4-7,13H,8-11H2,1-3H3
InChIKeyLOCAKRYTJDOQHD-UHFFFAOYSA-N
MW234.34 g/mol
LogP3.17
Rot. Bonds7

About 6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one

6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one (PubChem CID 105131637) has the molecular formula C15H22O2 and a molecular weight of 234.34 g/mol. Its IUPAC name is 6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one.

Molecular Properties

Compound Name6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one
PubChem CID105131637
Molecular FormulaC15H22O2
Molecular Weight234.34 g/mol
Exact Mass234.16
IUPAC Name6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one
SMILESCOCCC(C)C(=O)CCc1ccc(C)cc1
InChIInChI=1S/C15H22O2/c1-12-4-6-14(7-5-12)8-9-15(16)13(2)10-11-17-3/h4-7,13H,8-11H2,1-3H3
InChIKeyLOCAKRYTJDOQHD-UHFFFAOYSA-N
XLogP3.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(4-bromophenyl)-2-methyl-1-(4-methylphenyl)pentan-3-one
CID 173221425
N-(2-methoxyethyl)-3-(4-methylphenyl)propanamide
CID 19220427
N-(4-hydroxy-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 103799440
N-(4-amino-1-methoxybutan-2-yl)-3-(4-methylphenyl)propanamide
CID 106152335
4-methoxy-1-(2-methoxy-5-methylphenyl)-2-methylbutan-1-one
CID 115807525
[3-[2-methyl-4-(4-methylphenyl)butanoyl]oxy-2-oxopropyl] 2-methyl-4-(4-methylphenyl)butanoate
CID 168884695
N-(2-methoxyethyl)-4-(4-methylphenyl)butan-2-amine
CID 115705553
ethane;4-(4-methylphenyl)butan-2-one
CID 142847870
4-hydroxy-1-(4-hydroxyphenyl)pentan-3-one
CID 66769730
10-amino-1-methoxy-3-methyldecan-4-one
CID 116551483
ethane;3-(4-methylphenyl)propanamide
CID 142510251
1-hydroxy-4-(4-methylphenyl)butan-2-one
CID 22628483

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one?
The IUPAC name of 6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one (CID 105131637) is 6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one.
What is the SMILES notation for 6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one?
The canonical SMILES for 6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one is COCCC(C)C(=O)CCc1ccc(C)cc1.
What is the InChIKey of 6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one?
The InChIKey is LOCAKRYTJDOQHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O2/c1-12-4-6-14(7-5-12)8-9-15(16)13(2)10-11-17-3/h4-7,13H,8-11H2,1-3H3.
What are the key properties of 6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one?
6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one has a molecular weight of 234.34 g/mol, XLogP of 3.17, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-methyl-1-(4-methylphenyl)hexan-3-one is sourced from PubChem (CID 105131637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).