6-(4-methoxy-2,5-dimethylphenyl)octan-3-one

C17H26O2 — CID 83927787

IUPAC6-(4-methoxy-2,5-dimethylphenyl)octan-3-one
SMILESCCC(=O)CCC(CC)c1cc(C)c(OC)cc1C
InChIInChI=1S/C17H26O2/c1-6-14(8-9-15(18)7-2)16-10-13(4)17(19-5)11-12(16)3/h10-11,14H,6-9H2,1-5H3
InChIKeyARUWYRQFADFMSI-UHFFFAOYSA-N
MW262.39 g/mol
LogP4.56
Rot. Bonds7

About 6-(4-methoxy-2,5-dimethylphenyl)octan-3-one

6-(4-methoxy-2,5-dimethylphenyl)octan-3-one (PubChem CID 83927787) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 6-(4-methoxy-2,5-dimethylphenyl)octan-3-one.

Molecular Properties

Compound Name6-(4-methoxy-2,5-dimethylphenyl)octan-3-one
PubChem CID83927787
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name6-(4-methoxy-2,5-dimethylphenyl)octan-3-one
SMILESCCC(=O)CCC(CC)c1cc(C)c(OC)cc1C
InChIInChI=1S/C17H26O2/c1-6-14(8-9-15(18)7-2)16-10-13(4)17(19-5)11-12(16)3/h10-11,14H,6-9H2,1-5H3
InChIKeyARUWYRQFADFMSI-UHFFFAOYSA-N
XLogP4.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(2,5-dimethyl-4-propoxyphenyl)octan-3-one
CID 83940950
2-(4-methoxy-2,5-dimethylphenyl)butan-1-ol
CID 82077691
6-(4-methoxy-2,3,6-trimethylphenyl)octan-3-one
CID 83939309
6-(2-bromo-4,5-dimethylphenyl)octan-3-one
CID 83921876
6-(2-fluoro-4,5-dimethoxyphenyl)octan-3-one
CID 83922709
6-(2,5-dimethoxyphenyl)octan-3-one
CID 83938220
6-(2,5-dimethylphenyl)octan-3-one
CID 83928115
2-(4-methoxy-2,5-dimethylphenyl)butan-1-amine
CID 82077546
6-(5-chloro-4-methyl-2-propoxyphenyl)octan-3-one
CID 83937736
2-(2-methoxy-4,5-dimethylphenyl)butan-1-ol
CID 82077689
6-(5-chloro-2-methoxy-3,6-dimethylphenyl)octan-3-one
CID 83940459
2-(aminomethyl)-4-(4-methoxy-2,5-dimethylphenyl)hexan-1-ol
CID 83927780

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-2,5-dimethylphenyl)octan-3-one?
The IUPAC name of 6-(4-methoxy-2,5-dimethylphenyl)octan-3-one (CID 83927787) is 6-(4-methoxy-2,5-dimethylphenyl)octan-3-one.
What is the SMILES notation for 6-(4-methoxy-2,5-dimethylphenyl)octan-3-one?
The canonical SMILES for 6-(4-methoxy-2,5-dimethylphenyl)octan-3-one is CCC(=O)CCC(CC)c1cc(C)c(OC)cc1C.
What is the InChIKey of 6-(4-methoxy-2,5-dimethylphenyl)octan-3-one?
The InChIKey is ARUWYRQFADFMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-6-14(8-9-15(18)7-2)16-10-13(4)17(19-5)11-12(16)3/h10-11,14H,6-9H2,1-5H3.
What are the key properties of 6-(4-methoxy-2,5-dimethylphenyl)octan-3-one?
6-(4-methoxy-2,5-dimethylphenyl)octan-3-one has a molecular weight of 262.39 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-2,5-dimethylphenyl)octan-3-one is sourced from PubChem (CID 83927787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).