2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone

C15H20O5 — CID 71216693

IUPAC2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone
SMILESO=C(CO)c1ccccc1OCCOC1CCCCO1
InChIInChI=1S/C15H20O5/c16-11-13(17)12-5-1-2-6-14(12)18-9-10-20-15-7-3-4-8-19-15/h1-2,5-6,15-16H,3-4,7-11H2
InChIKeyRAMOFCWGLRVIBC-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.78
Rot. Bonds7

About 2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone

2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone (PubChem CID 71216693) has the molecular formula C15H20O5 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone.

Molecular Properties

Compound Name2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone
PubChem CID71216693
Molecular FormulaC15H20O5
Molecular Weight280.32 g/mol
Exact Mass280.13
IUPAC Name2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone
SMILESO=C(CO)c1ccccc1OCCOC1CCCCO1
InChIInChI=1S/C15H20O5/c16-11-13(17)12-5-1-2-6-14(12)18-9-10-20-15-7-3-4-8-19-15/h1-2,5-6,15-16H,3-4,7-11H2
InChIKeyRAMOFCWGLRVIBC-UHFFFAOYSA-N
XLogP1.78
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(oxan-2-yloxy)butoxy]benzoate
CID 22152020
2-chloro-3-[2-(oxan-2-yloxy)ethoxy]benzoic acid
CID 146457189
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
methyl 3-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]prop-2-enoate
CID 72616107
2-(2-phenoxyethoxy)oxane
CID 11736193
3-[2-[2-[2-[2-[(2S)-oxan-2-yl]oxyethoxy]ethoxy]ethoxy]phenyl]prop-1-yn-1-ol
CID 174187887
(2S)-2-[3-(2-methoxyphenoxy)propoxy]oxane
CID 100761288
[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
CID 165391674
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]-3-oxopropanal
CID 137354800
tert-butyl N-[6-[[3-[2-(oxan-2-yloxy)ethoxy]-2-pyridinyl]oxy]hexyl]carbamate;2-chloro-3-[2-(oxan-2-yloxy)ethoxy]pyridine
CID 160607731
8-(oxan-2-yloxy)octyl benzoate
CID 11551737

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone?
The IUPAC name of 2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone (CID 71216693) is 2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone.
What is the SMILES notation for 2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone?
The canonical SMILES for 2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone is O=C(CO)c1ccccc1OCCOC1CCCCO1.
What is the InChIKey of 2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone?
The InChIKey is RAMOFCWGLRVIBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O5/c16-11-13(17)12-5-1-2-6-14(12)18-9-10-20-15-7-3-4-8-19-15/h1-2,5-6,15-16H,3-4,7-11H2.
What are the key properties of 2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone?
2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone has a molecular weight of 280.32 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-[2-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone is sourced from PubChem (CID 71216693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).