1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one

C16H24O4 — CID 83226465

IUPAC1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one
SMILESCCCOC(C(=O)CCC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H24O4/c1-5-7-13(17)16(20-10-6-2)12-8-9-14(18-3)15(11-12)19-4/h8-9,11,16H,5-7,10H2,1-4H3
InChIKeyCJORFNKASYDHOK-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.54
Rot. Bonds9

About 1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one

1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one (PubChem CID 83226465) has the molecular formula C16H24O4 and a molecular weight of 280.36 g/mol. Its IUPAC name is 1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one.

Molecular Properties

Compound Name1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one
PubChem CID83226465
Molecular FormulaC16H24O4
Molecular Weight280.36 g/mol
Exact Mass280.17
IUPAC Name1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one
SMILESCCCOC(C(=O)CCC)c1ccc(OC)c(OC)c1
InChIInChI=1S/C16H24O4/c1-5-7-13(17)16(20-10-6-2)12-8-9-14(18-3)15(11-12)19-4/h8-9,11,16H,5-7,10H2,1-4H3
InChIKeyCJORFNKASYDHOK-UHFFFAOYSA-N
XLogP3.54
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-fluoro-4-methoxyphenyl)-1-propoxypentan-2-one
CID 83225657
1-(4-chlorophenyl)-1-propoxypentan-2-one
CID 83225276
(1R)-1-(3,4-dimethoxyphenyl)propan-1-ol
CID 873110
1-(3,4-difluorophenyl)-1-ethoxypentan-2-one
CID 83226108
ethyl 3-(3,4-dimethoxyphenyl)-2,3-dihydroxypropanoate
CID 74828202
1-chloro-1-(4-methoxy-3-propoxyphenyl)butan-2-one
CID 82161257
4-(3,4-dimethoxyphenyl)-4-hydroxybutan-2-one
CID 24859749
1-(3,5-dimethoxyphenyl)-1-ethoxypentan-2-one
CID 83225136
2-(2,5-dimethoxyphenyl)-2-propoxyacetic acid
CID 83223416
1,2-bis(3,4-dimethoxyphenyl)ethane-1,2-diol
CID 11461770
1,2-dimethoxy-4-pentan-2-ylbenzene
CID 67564949
2-(3,4-dimethoxyphenyl)-3-oxooctanenitrile
CID 43157026

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one?
The IUPAC name of 1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one (CID 83226465) is 1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one.
What is the SMILES notation for 1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one?
The canonical SMILES for 1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one is CCCOC(C(=O)CCC)c1ccc(OC)c(OC)c1.
What is the InChIKey of 1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one?
The InChIKey is CJORFNKASYDHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O4/c1-5-7-13(17)16(20-10-6-2)12-8-9-14(18-3)15(11-12)19-4/h8-9,11,16H,5-7,10H2,1-4H3.
What are the key properties of 1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one?
1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one has a molecular weight of 280.36 g/mol, XLogP of 3.54, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethoxyphenyl)-1-propoxypentan-2-one is sourced from PubChem (CID 83226465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).