1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one

C18H20O2 — CID 24725838

IUPAC1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)c2c(C)cccc2C)c1
InChIInChI=1S/C18H20O2/c1-13-6-4-7-14(2)18(13)17(19)11-10-15-8-5-9-16(12-15)20-3/h4-9,12H,10-11H2,1-3H3
InChIKeyJIJJFNGLIIDSNH-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.13
Rot. Bonds5

About 1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one

1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one (PubChem CID 24725838) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one.

Molecular Properties

Compound Name1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
PubChem CID24725838
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one
SMILESCOc1cccc(CCC(=O)c2c(C)cccc2C)c1
InChIInChI=1S/C18H20O2/c1-13-6-4-7-14(2)18(13)17(19)11-10-15-8-5-9-16(12-15)20-3/h4-9,12H,10-11H2,1-3H3
InChIKeyJIJJFNGLIIDSNH-UHFFFAOYSA-N
XLogP4.13
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,6-dimethylphenyl)-3-(3-methylphenyl)propan-1-one
CID 24725685
4-(3-methoxyphenyl)-1-(methylamino)butan-2-one
CID 112517732
5-(3-methoxyphenyl)-2-oxopentanoic acid
CID 57090432
ethane;1-(3-methoxyphenyl)-4-methylpentan-3-one
CID 142910057
(4-methylphenyl) 3-(3-methoxyphenyl)propanoate
CID 78829897
2,6-dichloro-4-[3-(3-methoxyphenyl)propanoyl]benzoic acid
CID 167567818
S-ethyl 3-(3-methoxyphenyl)propanethioate
CID 54757271
propan-2-yl 3-(3-methoxyphenyl)propanoate
CID 14043098
3-(3-methoxyphenyl)-1-(1-methylpyrrol-3-yl)propan-1-one
CID 95456132
3-(4-methoxyphenyl)-1-(2,4,6-trimethylphenyl)propan-1-one
CID 10802865
3-(3-methoxyphenyl)-1-(2-methylsulfanylphenyl)propan-1-one
CID 24725827
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one?
The IUPAC name of 1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one (CID 24725838) is 1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one.
What is the SMILES notation for 1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one?
The canonical SMILES for 1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one is COc1cccc(CCC(=O)c2c(C)cccc2C)c1.
What is the InChIKey of 1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one?
The InChIKey is JIJJFNGLIIDSNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-13-6-4-7-14(2)18(13)17(19)11-10-15-8-5-9-16(12-15)20-3/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one?
1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylphenyl)-3-(3-methoxyphenyl)propan-1-one is sourced from PubChem (CID 24725838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).