1-[2-(2-methylpentoxy)phenyl]ethanone

C14H20O2 — CID 62266405

IUPAC1-[2-(2-methylpentoxy)phenyl]ethanone
SMILESCCCC(C)COc1ccccc1C(C)=O
InChIInChI=1S/C14H20O2/c1-4-7-11(2)10-16-14-9-6-5-8-13(14)12(3)15/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyNSOMEXRVIBGUSO-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.70
Rot. Bonds6

About 1-[2-(2-methylpentoxy)phenyl]ethanone

1-[2-(2-methylpentoxy)phenyl]ethanone (PubChem CID 62266405) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[2-(2-methylpentoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-methylpentoxy)phenyl]ethanone
PubChem CID62266405
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[2-(2-methylpentoxy)phenyl]ethanone
SMILESCCCC(C)COc1ccccc1C(C)=O
InChIInChI=1S/C14H20O2/c1-4-7-11(2)10-16-14-9-6-5-8-13(14)12(3)15/h5-6,8-9,11H,4,7,10H2,1-3H3
InChIKeyNSOMEXRVIBGUSO-UHFFFAOYSA-N
XLogP3.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-[3-(dimethylamino)-2-methylpropoxy]phenyl]ethanone
CID 82037382
2-[2-(2-methylpentoxy)phenyl]acetic acid
CID 80740774
1-[1-(2-methylpentoxy)naphthalen-2-yl]ethanone
CID 63530568
2-(2-acetylphenoxy)-N-pentan-2-ylacetamide
CID 60626000
1-[2-(4-methylpentoxy)phenyl]ethanone
CID 29003187
2-(2-methylpentoxy)aniline
CID 45075234
2-(2-methylbutoxy)benzoyl chloride
CID 139627306
methyl 2-[2-(2,6-dimethyloctoxy)phenyl]but-2-enoate
CID 57180867
(1R)-1-[2-(2-methylpentoxy)phenyl]ethanamine
CID 63367049
N-[[2-(2-methylpentoxy)phenyl]methyl]ethanamine
CID 62265523
2-bromo-6-(2-methylpentoxy)benzoic acid
CID 103285847
4-fluoro-2-(2-methylpentoxy)benzoic acid
CID 107014556

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpentoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(2-methylpentoxy)phenyl]ethanone (CID 62266405) is 1-[2-(2-methylpentoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2-methylpentoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(2-methylpentoxy)phenyl]ethanone is CCCC(C)COc1ccccc1C(C)=O.
What is the InChIKey of 1-[2-(2-methylpentoxy)phenyl]ethanone?
The InChIKey is NSOMEXRVIBGUSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-4-7-11(2)10-16-14-9-6-5-8-13(14)12(3)15/h5-6,8-9,11H,4,7,10H2,1-3H3.
What are the key properties of 1-[2-(2-methylpentoxy)phenyl]ethanone?
1-[2-(2-methylpentoxy)phenyl]ethanone has a molecular weight of 220.31 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpentoxy)phenyl]ethanone is sourced from PubChem (CID 62266405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).