6-(1-phenylethoxy)hexan-2-one

C14H20O2 — CID 62030605

IUPAC6-(1-phenylethoxy)hexan-2-one
SMILESCC(=O)CCCCOC(C)c1ccccc1
InChIInChI=1S/C14H20O2/c1-12(15)8-6-7-11-16-13(2)14-9-4-3-5-10-14/h3-5,9-10,13H,6-8,11H2,1-2H3
InChIKeyHHRZKIKRMLHOTM-UHFFFAOYSA-N
MW220.31 g/mol
LogP3.52
Rot. Bonds7

About 6-(1-phenylethoxy)hexan-2-one

6-(1-phenylethoxy)hexan-2-one (PubChem CID 62030605) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 6-(1-phenylethoxy)hexan-2-one.

Molecular Properties

Compound Name6-(1-phenylethoxy)hexan-2-one
PubChem CID62030605
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name6-(1-phenylethoxy)hexan-2-one
SMILESCC(=O)CCCCOC(C)c1ccccc1
InChIInChI=1S/C14H20O2/c1-12(15)8-6-7-11-16-13(2)14-9-4-3-5-10-14/h3-5,9-10,13H,6-8,11H2,1-2H3
InChIKeyHHRZKIKRMLHOTM-UHFFFAOYSA-N
XLogP3.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.52
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

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CID 174634303
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6-[10-(5-oxohexoxy)anthracen-9-yl]oxyhexan-2-one
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2-(methylamino)-N-[3-(1-phenylethoxy)propyl]acetamide;hydrochloride
CID 119693834
1-[2-[2-(1-phenylethoxy)ethoxy]phenyl]ethanone
CID 62031613
1-(2-bromoethoxy)ethylbenzene
CID 24688557
bis(5-methylhex-5-enoxy)methylbenzene
CID 134837697
2-(diethylamino)-2-phenyl-N-[3-(1-phenylethoxy)propyl]acetamide
CID 56538597
2-iodo-N-[3-(1-phenylethoxy)propyl]benzamide
CID 55483787

Frequently Asked Questions

What is the IUPAC name of 6-(1-phenylethoxy)hexan-2-one?
The IUPAC name of 6-(1-phenylethoxy)hexan-2-one (CID 62030605) is 6-(1-phenylethoxy)hexan-2-one.
What is the SMILES notation for 6-(1-phenylethoxy)hexan-2-one?
The canonical SMILES for 6-(1-phenylethoxy)hexan-2-one is CC(=O)CCCCOC(C)c1ccccc1.
What is the InChIKey of 6-(1-phenylethoxy)hexan-2-one?
The InChIKey is HHRZKIKRMLHOTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-12(15)8-6-7-11-16-13(2)14-9-4-3-5-10-14/h3-5,9-10,13H,6-8,11H2,1-2H3.
What are the key properties of 6-(1-phenylethoxy)hexan-2-one?
6-(1-phenylethoxy)hexan-2-one has a molecular weight of 220.31 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-phenylethoxy)hexan-2-one is sourced from PubChem (CID 62030605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).