[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone

C24H30O6 — CID 165391674

IUPAC[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCCOCCOCCOC2CCCCO2)cc1
InChIInChI=1S/C24H30O6/c25-24(20-6-2-1-3-7-20)21-9-11-22(12-10-21)28-18-16-26-14-15-27-17-19-30-23-8-4-5-13-29-23/h1-3,6-7,9-12,23H,4-5,8,13-19H2
InChIKeyQORRQROIRKKHIT-UHFFFAOYSA-N
MW414.50 g/mol
LogP3.87
Rot. Bonds13

About [4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone

[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone (PubChem CID 165391674) has the molecular formula C24H30O6 and a molecular weight of 414.50 g/mol. Its IUPAC name is [4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone.

Molecular Properties

Compound Name[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
PubChem CID165391674
Molecular FormulaC24H30O6
Molecular Weight414.50 g/mol
Exact Mass414.20
IUPAC Name[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone
SMILESO=C(c1ccccc1)c1ccc(OCCOCCOCCOC2CCCCO2)cc1
InChIInChI=1S/C24H30O6/c25-24(20-6-2-1-3-7-20)21-9-11-22(12-10-21)28-18-16-26-14-15-27-17-19-30-23-8-4-5-13-29-23/h1-3,6-7,9-12,23H,4-5,8,13-19H2
InChIKeyQORRQROIRKKHIT-UHFFFAOYSA-N
XLogP3.87
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.50
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
methyl 4-[2-[2-(oxolan-2-yloxy)ethoxy]ethoxy]benzoate
CID 102002140
3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]-3-oxopropanal
CID 137354800
methyl 4-[12-(oxan-2-yloxy)dodecoxy]benzoate
CID 67066837
2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]oxane
CID 165126969
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-phenylmethoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]oxane
CID 162640826
2-[(2-methylpropan-2-yl)oxycarbonylamino]-2-[4-[2-[2-[(2R)-oxan-2-yl]oxyethoxy]ethoxy]phenyl]acetic acid
CID 68619436
2-[2-[2-[2-[4-[4-(4-methylphenyl)cyclohexyl]phenoxy]ethoxy]ethoxy]ethoxy]oxane
CID 143637417
[3-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]methanol
CID 59552355
methyl 4-methylbenzoate;1-(4-methylphenyl)-3-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]propane-1,3-dione;1-[4-[2-(oxan-2-yloxy)ethoxy]phenyl]ethanone
CID 159447558

Frequently Asked Questions

What is the IUPAC name of [4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone?
The IUPAC name of [4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone (CID 165391674) is [4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone.
What is the SMILES notation for [4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone?
The canonical SMILES for [4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone is O=C(c1ccccc1)c1ccc(OCCOCCOCCOC2CCCCO2)cc1.
What is the InChIKey of [4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone?
The InChIKey is QORRQROIRKKHIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O6/c25-24(20-6-2-1-3-7-20)21-9-11-22(12-10-21)28-18-16-26-14-15-27-17-19-30-23-8-4-5-13-29-23/h1-3,6-7,9-12,23H,4-5,8,13-19H2.
What are the key properties of [4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone?
[4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone has a molecular weight of 414.50 g/mol, XLogP of 3.87, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-[2-[2-(oxan-2-yloxy)ethoxy]ethoxy]ethoxy]phenyl]-phenylmethanone is sourced from PubChem (CID 165391674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).