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

C16H24O3 — CID 43793758

IUPAC1-[2-(2-hexoxyethoxy)phenyl]ethanone
SMILESCCCCCCOCCOc1ccccc1C(C)=O
InChIInChI=1S/C16H24O3/c1-3-4-5-8-11-18-12-13-19-16-10-7-6-9-15(16)14(2)17/h6-7,9-10H,3-5,8,11-13H2,1-2H3
InChIKeyWJMBRUWBBMXZPK-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.86
Rot. Bonds10

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

1-[2-(2-hexoxyethoxy)phenyl]ethanone (PubChem CID 43793758) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[2-(2-hexoxyethoxy)phenyl]ethanone.

Molecular Properties

Compound Name1-[2-(2-hexoxyethoxy)phenyl]ethanone
PubChem CID43793758
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name1-[2-(2-hexoxyethoxy)phenyl]ethanone
SMILESCCCCCCOCCOc1ccccc1C(C)=O
InChIInChI=1S/C16H24O3/c1-3-4-5-8-11-18-12-13-19-16-10-7-6-9-15(16)14(2)17/h6-7,9-10H,3-5,8,11-13H2,1-2H3
InChIKeyWJMBRUWBBMXZPK-UHFFFAOYSA-N
XLogP3.86
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-[2-(2-butoxyethoxy)ethoxy]phenyl]ethanone
CID 43793701
2-(3-pentoxypropoxy)benzoic acid
CID 63074508
1-[2-(2-pent-4-enoxyethoxy)phenyl]ethanone
CID 79112812
2-dodecoxybenzoic acid;nickel
CID 87443191
1-[2-(8-aminooctoxy)phenyl]ethanone
CID 142412134
2-nonoxybenzoic acid;zinc
CID 70396181
1-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]phenyl]ethanone
CID 115942350
1-[2-(2-butoxyethoxy)-5-fluorophenyl]ethanone
CID 29003149
magnesium bis(2-decoxybenzoate)
CID 70413847
dodecyl 2-dodecoxybenzoate
CID 57240468
calcium;2-hexadecoxybenzoic acid;hydride
CID 173426862
hexyl 2-hexoxybenzoate
CID 86163108

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-hexoxyethoxy)phenyl]ethanone?
The IUPAC name of 1-[2-(2-hexoxyethoxy)phenyl]ethanone (CID 43793758) is 1-[2-(2-hexoxyethoxy)phenyl]ethanone.
What is the SMILES notation for 1-[2-(2-hexoxyethoxy)phenyl]ethanone?
The canonical SMILES for 1-[2-(2-hexoxyethoxy)phenyl]ethanone is CCCCCCOCCOc1ccccc1C(C)=O.
What is the InChIKey of 1-[2-(2-hexoxyethoxy)phenyl]ethanone?
The InChIKey is WJMBRUWBBMXZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-3-4-5-8-11-18-12-13-19-16-10-7-6-9-15(16)14(2)17/h6-7,9-10H,3-5,8,11-13H2,1-2H3.
What are the key properties of 1-[2-(2-hexoxyethoxy)phenyl]ethanone?
1-[2-(2-hexoxyethoxy)phenyl]ethanone has a molecular weight of 264.37 g/mol, XLogP of 3.86, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-hexoxyethoxy)phenyl]ethanone is sourced from PubChem (CID 43793758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).