6-(2,5-dimethoxyphenyl)octan-3-one

C16H24O3 — CID 83938220

IUPAC6-(2,5-dimethoxyphenyl)octan-3-one
SMILESCCC(=O)CCC(CC)c1cc(OC)ccc1OC
InChIInChI=1S/C16H24O3/c1-5-12(7-8-13(17)6-2)15-11-14(18-3)9-10-16(15)19-4/h9-12H,5-8H2,1-4H3
InChIKeySPJHGCKHUIWMGW-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.96
Rot. Bonds8

About 6-(2,5-dimethoxyphenyl)octan-3-one

6-(2,5-dimethoxyphenyl)octan-3-one (PubChem CID 83938220) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 6-(2,5-dimethoxyphenyl)octan-3-one.

Molecular Properties

Compound Name6-(2,5-dimethoxyphenyl)octan-3-one
PubChem CID83938220
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name6-(2,5-dimethoxyphenyl)octan-3-one
SMILESCCC(=O)CCC(CC)c1cc(OC)ccc1OC
InChIInChI=1S/C16H24O3/c1-5-12(7-8-13(17)6-2)15-11-14(18-3)9-10-16(15)19-4/h9-12H,5-8H2,1-4H3
InChIKeySPJHGCKHUIWMGW-UHFFFAOYSA-N
XLogP3.96
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-(5-ethyl-2-methoxyphenyl)heptan-2-one
CID 83942671
1-(2,5-dimethoxyphenyl)butane-1,2-diol
CID 103454612
4-(2,5-dimethoxyphenyl)-4-hydroxybutanoic acid
CID 6493924
6-(4-methoxy-2,3,6-trimethylphenyl)octan-3-one
CID 83939309
4-(2,7-dimethoxynaphthalen-1-yl)hexanoic acid
CID 70179389
2-(1-bromo-2-methylbutyl)-1,4-dimethoxybenzene
CID 61084489
methyl 2-[(2,5-dimethoxyphenyl)-hydroxymethyl]butanoate
CID 62395093
3-(2,5-dimethoxyphenyl)pentane-2,4-dione
CID 98661157
dimethyl 2-(2,5-dimethoxyphenyl)propanedioate
CID 94278774
1-(2,5-dimethoxyphenyl)-2-propylpentan-1-ol
CID 82988193
(1R,2S)-1-amino-1-(2,5-dimethoxyphenyl)butan-2-ol
CID 96603983
2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid
CID 83223416

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethoxyphenyl)octan-3-one?
The IUPAC name of 6-(2,5-dimethoxyphenyl)octan-3-one (CID 83938220) is 6-(2,5-dimethoxyphenyl)octan-3-one.
What is the SMILES notation for 6-(2,5-dimethoxyphenyl)octan-3-one?
The canonical SMILES for 6-(2,5-dimethoxyphenyl)octan-3-one is CCC(=O)CCC(CC)c1cc(OC)ccc1OC.
What is the InChIKey of 6-(2,5-dimethoxyphenyl)octan-3-one?
The InChIKey is SPJHGCKHUIWMGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-12(7-8-13(17)6-2)15-11-14(18-3)9-10-16(15)19-4/h9-12H,5-8H2,1-4H3.
What are the key properties of 6-(2,5-dimethoxyphenyl)octan-3-one?
6-(2,5-dimethoxyphenyl)octan-3-one has a molecular weight of 264.37 g/mol, XLogP of 3.96, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethoxyphenyl)octan-3-one is sourced from PubChem (CID 83938220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).