2-(1-phenylethyl)oxolane

C12H16O — CID 14175254

IUPAC2-(1-phenylethyl)oxolane
SMILESCC(c1ccccc1)C1CCCO1
InChIInChI=1S/C12H16O/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3
InChIKeyIZZLDHSIXPWQSN-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.97
Rot. Bonds2

About 2-(1-phenylethyl)oxolane

2-(1-phenylethyl)oxolane (PubChem CID 14175254) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-(1-phenylethyl)oxolane.

Molecular Properties

Compound Name2-(1-phenylethyl)oxolane
PubChem CID14175254
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name2-(1-phenylethyl)oxolane
SMILESCC(c1ccccc1)C1CCCO1
InChIInChI=1S/C12H16O/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3
InChIKeyIZZLDHSIXPWQSN-UHFFFAOYSA-N
XLogP2.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylethyl)oxolane?
The IUPAC name of 2-(1-phenylethyl)oxolane (CID 14175254) is 2-(1-phenylethyl)oxolane.
What is the SMILES notation for 2-(1-phenylethyl)oxolane?
The canonical SMILES for 2-(1-phenylethyl)oxolane is CC(c1ccccc1)C1CCCO1.
What is the InChIKey of 2-(1-phenylethyl)oxolane?
The InChIKey is IZZLDHSIXPWQSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-10(12-8-5-9-13-12)11-6-3-2-4-7-11/h2-4,6-7,10,12H,5,8-9H2,1H3.
What are the key properties of 2-(1-phenylethyl)oxolane?
2-(1-phenylethyl)oxolane has a molecular weight of 176.26 g/mol, XLogP of 2.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylethyl)oxolane is sourced from PubChem (CID 14175254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).