2-(1-phenylethenyl)oxane

C13H16O — CID 10921290

IUPAC2-(1-phenylethenyl)oxane
SMILESC=C(c1ccccc1)C1CCCCO1
InChIInChI=1S/C13H16O/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h2-4,7-8,13H,1,5-6,9-10H2
InChIKeyHUEOSFJLBXLUGS-UHFFFAOYSA-N
MW188.27 g/mol
LogP3.27
Rot. Bonds2

About 2-(1-phenylethenyl)oxane

2-(1-phenylethenyl)oxane (PubChem CID 10921290) has the molecular formula C13H16O and a molecular weight of 188.27 g/mol. Its IUPAC name is 2-(1-phenylethenyl)oxane.

Molecular Properties

Compound Name2-(1-phenylethenyl)oxane
PubChem CID10921290
Molecular FormulaC13H16O
Molecular Weight188.27 g/mol
Exact Mass188.12
IUPAC Name2-(1-phenylethenyl)oxane
SMILESC=C(c1ccccc1)C1CCCCO1
InChIInChI=1S/C13H16O/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h2-4,7-8,13H,1,5-6,9-10H2
InChIKeyHUEOSFJLBXLUGS-UHFFFAOYSA-N
XLogP3.27
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-(1-phenylethenyl)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

Styrene Oxide
CID 7276
Dibenzyl ether
CID 7657
(S)-styrene oxide
CID 114946
Methyl phenethyl ether
CID 19089
Benzyl ethyl ether
CID 10873
Benzyl butyl ether
CID 61134
1-Phenyl-2-pentanol
CID 61202
2-(3-Phenylpropyl)tetrahydrofuran
CID 62490
Isoamyl phenethyl ether
CID 91978
(+)-Styrene oxide
CID 114705
Benzyl octyl ether
CID 347508
Rhubafuran
CID 113514

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethenyl)oxane?
The IUPAC name of 2-(1-phenylethenyl)oxane (CID 10921290) is 2-(1-phenylethenyl)oxane.
What is the SMILES notation for 2-(1-phenylethenyl)oxane?
The canonical SMILES for 2-(1-phenylethenyl)oxane is C=C(c1ccccc1)C1CCCCO1.
What is the InChIKey of 2-(1-phenylethenyl)oxane?
The InChIKey is HUEOSFJLBXLUGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O/c1-11(12-7-3-2-4-8-12)13-9-5-6-10-14-13/h2-4,7-8,13H,1,5-6,9-10H2.
What are the key properties of 2-(1-phenylethenyl)oxane?
2-(1-phenylethenyl)oxane has a molecular weight of 188.27 g/mol, XLogP of 3.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethenyl)oxane is sourced from PubChem (CID 10921290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).