1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone

C16H24O3 — CID 103284445

IUPAC1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone
SMILESCCCC(C)COCc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C16H24O3/c1-5-6-12(2)10-19-11-15-9-14(13(3)17)7-8-16(15)18-4/h7-9,12H,5-6,10-11H2,1-4H3
InChIKeyDXWQIJZKEFKCDW-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.85
Rot. Bonds8

About 1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone

1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone (PubChem CID 103284445) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone
PubChem CID103284445
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone
SMILESCCCC(C)COCc1cc(C(C)=O)ccc1OC
InChIInChI=1S/C16H24O3/c1-5-6-12(2)10-19-11-15-9-14(13(3)17)7-8-16(15)18-4/h7-9,12H,5-6,10-11H2,1-4H3
InChIKeyDXWQIJZKEFKCDW-UHFFFAOYSA-N
XLogP3.85
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 ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(butoxymethyl)-4-methoxyphenyl]ethanone
CID 43789546
3-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]prop-2-yn-1-ol
CID 103284677
2-methoxy-5-(2-methylpentoxymethyl)benzoic acid
CID 103285867
1-[4-methoxy-3-(propylsulfanylmethyl)phenyl]ethanone
CID 43789572
1-[3-(2,2-difluoroethoxymethyl)-4-ethoxyphenyl]ethanone
CID 82005623
1-[3-(hydroxymethyl)-4-methoxyphenyl]ethanone
CID 4689851
2-(5-acetyl-2-methoxyphenyl)acetic acid
CID 2535148
1-[4-ethoxy-3-(3-methylbutoxymethyl)phenyl]ethanone
CID 60861705
2-(5-acetyl-2-methoxyphenyl)-N-butan-2-yl-N-methylacetamide
CID 134006092
1-[4-methoxy-3-(thiophen-2-ylmethoxymethyl)phenyl]ethanone
CID 62032194
(5-acetyl-2-methoxyphenyl)methyl (2S)-2-(4-methylphenoxy)propanoate
CID 35968055
(5-acetyl-2-methoxyphenyl)methyl 2-(4-methylphenoxy)propanoate
CID 42903545

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone?
The IUPAC name of 1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone (CID 103284445) is 1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone.
What is the SMILES notation for 1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone?
The canonical SMILES for 1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone is CCCC(C)COCc1cc(C(C)=O)ccc1OC.
What is the InChIKey of 1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone?
The InChIKey is DXWQIJZKEFKCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-5-6-12(2)10-19-11-15-9-14(13(3)17)7-8-16(15)18-4/h7-9,12H,5-6,10-11H2,1-4H3.
What are the key properties of 1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone?
1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone has a molecular weight of 264.37 g/mol, XLogP of 3.85, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-3-(2-methylpentoxymethyl)phenyl]ethanone is sourced from PubChem (CID 103284445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).