2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane

C18H28O4 — CID 165127390

IUPAC2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
SMILESC[C@@H](CCOCCOC1CCCCO1)OCc1ccccc1
InChIInChI=1S/C18H28O4/c1-16(22-15-17-7-3-2-4-8-17)10-12-19-13-14-21-18-9-5-6-11-20-18/h2-4,7-8,16,18H,5-6,9-15H2,1H3/t16-,18?/m0/s1
InChIKeyQHMWDJZYZYCAAA-ATNAJCNCSA-N
MW308.42 g/mol
LogP3.54
Rot. Bonds10

About 2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane

2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane (PubChem CID 165127390) has the molecular formula C18H28O4 and a molecular weight of 308.42 g/mol. Its IUPAC name is 2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane.

Molecular Properties

Compound Name2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
PubChem CID165127390
Molecular FormulaC18H28O4
Molecular Weight308.42 g/mol
Exact Mass308.20
IUPAC Name2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane
SMILESC[C@@H](CCOCCOC1CCCCO1)OCc1ccccc1
InChIInChI=1S/C18H28O4/c1-16(22-15-17-7-3-2-4-8-17)10-12-19-13-14-21-18-9-5-6-11-20-18/h2-4,7-8,16,18H,5-6,9-15H2,1H3/t16-,18?/m0/s1
InChIKeyQHMWDJZYZYCAAA-ATNAJCNCSA-N
XLogP3.54
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane 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-(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-[1-(3-phenylmethoxybutoxy)propan-2-yloxy]oxane
CID 174209322
2-[2-(1-phenylmethoxypropan-2-yloxy)ethoxy]oxane
CID 174202600
2-[2-[2-(4-phenylmethoxyphenoxy)ethoxy]ethoxy]oxane
CID 168915283
2-[(3S)-3-methyl-8-phenylmethoxyoctoxy]oxane
CID 11977298
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
2-[(2R)-3-hexadecoxy-2-phenylmethoxypropoxy]oxane
CID 10323317
2-[(5S,6S)-5-azido-6-phenylmethoxyoctoxy]oxane
CID 52916436
5-[(2R)-oxan-2-yl]oxy-1-phenylmethoxypentan-2-ol
CID 67866640
benzyl (2S)-2-amino-4-(oxan-2-yloxy)butanoate
CID 70956918
2-[2-[2-[2-ethyl-3,5-bis(phenylmethoxy)phenyl]ethoxy]ethoxy]oxane
CID 23147268

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane?
The IUPAC name of 2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane (CID 165127390) is 2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane.
What is the SMILES notation for 2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane?
The canonical SMILES for 2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane is C[C@@H](CCOCCOC1CCCCO1)OCc1ccccc1.
What is the InChIKey of 2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane?
The InChIKey is QHMWDJZYZYCAAA-ATNAJCNCSA-N. The full InChI is InChI=1S/C18H28O4/c1-16(22-15-17-7-3-2-4-8-17)10-12-19-13-14-21-18-9-5-6-11-20-18/h2-4,7-8,16,18H,5-6,9-15H2,1H3/t16-,18?/m0/s1.
What are the key properties of 2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane?
2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane has a molecular weight of 308.42 g/mol, XLogP of 3.54, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3S)-3-phenylmethoxybutoxy]ethoxy]oxane is sourced from PubChem (CID 165127390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).