1-[2-(4-methylpentoxy)phenyl]ethanone

C14H20O2 — CID 29003187

IUPAC1-[2-(4-methylpentoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCCC(C)C
InChIInChI=1S/C14H20O2/c1-11(2)7-6-10-16-14-9-5-4-8-13(14)12(3)15/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyQPQMARNAPNBISX-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.70
Rot. Bonds6

About 1-[2-(4-methylpentoxy)phenyl]ethanone

1-[2-(4-methylpentoxy)phenyl]ethanone (PubChem CID 29003187) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 1-[2-(4-methylpentoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylpentoxy)phenyl]ethanone
PubChem CID29003187
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name1-[2-(4-methylpentoxy)phenyl]ethanone
SMILESCC(=O)c1ccccc1OCCCC(C)C
InChIInChI=1S/C14H20O2/c1-11(2)7-6-10-16-14-9-5-4-8-13(14)12(3)15/h4-5,8-9,11H,6-7,10H2,1-3H3
InChIKeyQPQMARNAPNBISX-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(18-methylnonadecoxy)benzoic acid
CID 172718399
2-(8-methylnonoxy)benzoic acid
CID 22075682
propan-2-yl 2-(16-methylheptadecoxy)benzoate
CID 139715395
4-(2-acetylphenoxy)-N-methylbutanamide
CID 63890995
1-[2-(2-iodoethoxy)phenyl]ethanone
CID 64788575
2-[2-(4-methylpentoxy)phenyl]acetic acid
CID 83153029
1-[2-(8-aminooctoxy)phenyl]ethanone
CID 142412134
1-[2-(4,4,4-trifluorobutoxy)phenyl]ethanone
CID 115513987
2-(4-methylpentoxy)benzenecarboximidamide
CID 29002875
1-[2-[2-(1-phenylethoxy)ethoxy]phenyl]ethanone
CID 62031613
1-[2-[2-[3-hydroxybutyl(methyl)amino]ethoxy]phenyl]ethanone
CID 115665999
1-[2-(2-methylpentoxy)phenyl]ethanone
CID 62266405

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpentoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(4-methylpentoxy)phenyl]ethanone (CID 29003187) is 1-[2-(4-methylpentoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(4-methylpentoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(4-methylpentoxy)phenyl]ethanone is CC(=O)c1ccccc1OCCCC(C)C.
What is the InChIKey of 1-[2-(4-methylpentoxy)phenyl]ethanone?
The InChIKey is QPQMARNAPNBISX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-11(2)7-6-10-16-14-9-5-4-8-13(14)12(3)15/h4-5,8-9,11H,6-7,10H2,1-3H3.
What are the key properties of 1-[2-(4-methylpentoxy)phenyl]ethanone?
1-[2-(4-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-(4-methylpentoxy)phenyl]ethanone is sourced from PubChem (CID 29003187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).