2-(4-phenoxybut-2-ynoxy)oxane

C15H18O3 — CID 19849494

IUPAC2-(4-phenoxybut-2-ynoxy)oxane
SMILESC(#CCOC1CCCCO1)COc1ccccc1
InChIInChI=1S/C15H18O3/c1-2-8-14(9-3-1)16-11-6-7-13-18-15-10-4-5-12-17-15/h1-3,8-9,15H,4-5,10-13H2
InChIKeyNMTPIOJSIWZYGW-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.61
Rot. Bonds4

About 2-(4-phenoxybut-2-ynoxy)oxane

2-(4-phenoxybut-2-ynoxy)oxane (PubChem CID 19849494) has the molecular formula C15H18O3 and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(4-phenoxybut-2-ynoxy)oxane.

Molecular Properties

Compound Name2-(4-phenoxybut-2-ynoxy)oxane
PubChem CID19849494
Molecular FormulaC15H18O3
Molecular Weight246.31 g/mol
Exact Mass246.13
IUPAC Name2-(4-phenoxybut-2-ynoxy)oxane
SMILESC(#CCOC1CCCCO1)COc1ccccc1
InChIInChI=1S/C15H18O3/c1-2-8-14(9-3-1)16-11-6-7-13-18-15-10-4-5-12-17-15/h1-3,8-9,15H,4-5,10-13H2
InChIKeyNMTPIOJSIWZYGW-UHFFFAOYSA-N
XLogP2.61
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(4-phenoxybut-2-ynoxy)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-(3-phenylprop-2-ynoxy)oxane
CID 11665682
2-[10-(4-methylphenoxy)deca-2,5,8-triynoxy]oxane
CID 19849488
2-(2-phenoxyethoxy)oxane
CID 11736193
2-[2-(2-phenoxyethoxy)ethoxy]oxane
CID 68537956
(1S)-4-(oxan-2-yloxy)-1-phenylbut-2-yn-1-ol
CID 165344268
[2-[3-(oxan-2-yloxy)prop-1-ynyl]phenyl]methanol
CID 15647828
4-[3-(oxan-2-yloxy)prop-1-ynyl]benzonitrile
CID 166449331
2-(3-naphthalen-1-ylprop-2-ynoxy)oxane
CID 146003722
(2R)-2-(6-iodohex-2-ynoxy)oxane
CID 124672395
2-(4-ethoxybut-2-ynoxy)oxane
CID 68529463
2-hex-2-ynoxyoxane
CID 11041365
2-[3-(3-ethylphenyl)prop-2-ynoxy]oxane
CID 59407658

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenoxybut-2-ynoxy)oxane?
The IUPAC name of 2-(4-phenoxybut-2-ynoxy)oxane (CID 19849494) is 2-(4-phenoxybut-2-ynoxy)oxane.
What is the SMILES notation for 2-(4-phenoxybut-2-ynoxy)oxane?
The canonical SMILES for 2-(4-phenoxybut-2-ynoxy)oxane is C(#CCOC1CCCCO1)COc1ccccc1.
What is the InChIKey of 2-(4-phenoxybut-2-ynoxy)oxane?
The InChIKey is NMTPIOJSIWZYGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3/c1-2-8-14(9-3-1)16-11-6-7-13-18-15-10-4-5-12-17-15/h1-3,8-9,15H,4-5,10-13H2.
What are the key properties of 2-(4-phenoxybut-2-ynoxy)oxane?
2-(4-phenoxybut-2-ynoxy)oxane has a molecular weight of 246.31 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenoxybut-2-ynoxy)oxane is sourced from PubChem (CID 19849494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).