3-(1-phenylethyl)oxolane

C12H16O — CID 150323599

IUPAC3-(1-phenylethyl)oxolane
SMILESCC(c1ccccc1)C1CCOC1
InChIInChI=1S/C12H16O/c1-10(12-7-8-13-9-12)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyGODRLUKYWIYVBE-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.83
Rot. Bonds2

About 3-(1-phenylethyl)oxolane

3-(1-phenylethyl)oxolane (PubChem CID 150323599) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 3-(1-phenylethyl)oxolane.

Molecular Properties

Compound Name3-(1-phenylethyl)oxolane
PubChem CID150323599
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name3-(1-phenylethyl)oxolane
SMILESCC(c1ccccc1)C1CCOC1
InChIInChI=1S/C12H16O/c1-10(12-7-8-13-9-12)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3
InChIKeyGODRLUKYWIYVBE-UHFFFAOYSA-N
XLogP2.83
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 ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(oxolan-3-yl)ethyl]phenol
CID 115019111
3-[1-(2-bromophenyl)ethyl]oxolane
CID 115047473
[(1S)-1-cyclopentylethyl]benzene
CID 102346711
1-cyclobutylethylbenzene
CID 22024745
2-methoxy-1-(oxolan-3-yl)-2-phenylethanol
CID 116756910
4-[1-(oxan-4-yl)ethyl]aniline
CID 115024237
N-[oxolan-3-yl-(4-phenylphenyl)methyl]ethanamine
CID 61276508
4-[1-(oxan-4-yl)ethyl]benzoic acid
CID 115040159
N-[1-(oxolan-3-yl)ethyl]-2-phenyl-2-pyrrolidin-1-ylethanamine
CID 115704704
4-(1-phenylpropyl)oxane
CID 155461106
1-[(1S)-2-hydroxy-1-phenylethyl]-3-[1-(oxolan-3-yl)ethyl]urea
CID 75517864
1-(oxan-4-yl)-3-phenylbutan-1-ol
CID 63937274

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethyl)oxolane?
The IUPAC name of 3-(1-phenylethyl)oxolane (CID 150323599) is 3-(1-phenylethyl)oxolane.
What is the SMILES notation for 3-(1-phenylethyl)oxolane?
The canonical SMILES for 3-(1-phenylethyl)oxolane is CC(c1ccccc1)C1CCOC1.
What is the InChIKey of 3-(1-phenylethyl)oxolane?
The InChIKey is GODRLUKYWIYVBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-10(12-7-8-13-9-12)11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3.
What are the key properties of 3-(1-phenylethyl)oxolane?
3-(1-phenylethyl)oxolane has a molecular weight of 176.26 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethyl)oxolane is sourced from PubChem (CID 150323599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).