2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one

C20H20O5 — CID 10830997

IUPAC2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(OCCOC3CCCCO3)cc12
InChIInChI=1S/C20H20O5/c21-20-15-5-1-2-6-17(15)25-18-9-8-14(13-16(18)20)22-11-12-24-19-7-3-4-10-23-19/h1-2,5-6,8-9,13,19H,3-4,7,10-12H2
InChIKeyRDQXPRFETTXEAT-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.87
Rot. Bonds5

About 2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one

2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one (PubChem CID 10830997) has the molecular formula C20H20O5 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one.

Molecular Properties

Compound Name2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one
PubChem CID10830997
Molecular FormulaC20H20O5
Molecular Weight340.38 g/mol
Exact Mass340.13
IUPAC Name2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one
SMILESO=c1c2ccccc2oc2ccc(OCCOC3CCCCO3)cc12
InChIInChI=1S/C20H20O5/c21-20-15-5-1-2-6-17(15)25-18-9-8-14(13-16(18)20)22-11-12-24-19-7-3-4-10-23-19/h1-2,5-6,8-9,13,19H,3-4,7,10-12H2
InChIKeyRDQXPRFETTXEAT-UHFFFAOYSA-N
XLogP3.87
TPSA57.90 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenoxyethoxy)oxane
CID 11736193
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-ethoxyxanthen-9-one
CID 14150405
2-[2-(4-bromo-3-methylphenoxy)ethoxy]oxane
CID 67314274
[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
CID 165391674
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
2-bromo-4-[2-(oxan-2-yloxy)ethoxy]benzonitrile
CID 177043004
2-nitro-4-[2-[(2S)-oxan-2-yl]oxyethoxy]aniline
CID 125143099
[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
CID 59552355
2,7-bis(6-aminohexoxy)xanthen-9-one
CID 71716712
2-[2-(2-bromophenoxy)ethoxy]oxane
CID 11087925
5-bromo-1,3-dimethyl-7-[2-(oxan-2-yloxy)ethoxy]quinolin-2-one
CID 162753628

Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one?
The IUPAC name of 2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one (CID 10830997) is 2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one.
What is the SMILES notation for 2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one?
The canonical SMILES for 2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one is O=c1c2ccccc2oc2ccc(OCCOC3CCCCO3)cc12.
What is the InChIKey of 2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one?
The InChIKey is RDQXPRFETTXEAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20O5/c21-20-15-5-1-2-6-17(15)25-18-9-8-14(13-16(18)20)22-11-12-24-19-7-3-4-10-23-19/h1-2,5-6,8-9,13,19H,3-4,7,10-12H2.
What are the key properties of 2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one?
2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one has a molecular weight of 340.38 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxan-2-yloxy)ethoxy]xanthen-9-one is sourced from PubChem (CID 10830997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).