3-phenyl-4-propan-2-yloxolane

C13H18O — CID 85213034

IUPAC3-phenyl-4-propan-2-yloxolane
SMILESCC(C)C1COCC1c1ccccc1
InChIInChI=1S/C13H18O/c1-10(2)12-8-14-9-13(12)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3
InChIKeyLHUGCTTZEDQBHB-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.07
Rot. Bonds2

About 3-phenyl-4-propan-2-yloxolane

3-phenyl-4-propan-2-yloxolane (PubChem CID 85213034) has the molecular formula C13H18O and a molecular weight of 190.29 g/mol. Its IUPAC name is 3-phenyl-4-propan-2-yloxolane.

Molecular Properties

Compound Name3-phenyl-4-propan-2-yloxolane
PubChem CID85213034
Molecular FormulaC13H18O
Molecular Weight190.29 g/mol
Exact Mass190.14
IUPAC Name3-phenyl-4-propan-2-yloxolane
SMILESCC(C)C1COCC1c1ccccc1
InChIInChI=1S/C13H18O/c1-10(2)12-8-14-9-13(12)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3
InChIKeyLHUGCTTZEDQBHB-UHFFFAOYSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-4-propan-2-yloxolane?
The IUPAC name of 3-phenyl-4-propan-2-yloxolane (CID 85213034) is 3-phenyl-4-propan-2-yloxolane.
What is the SMILES notation for 3-phenyl-4-propan-2-yloxolane?
The canonical SMILES for 3-phenyl-4-propan-2-yloxolane is CC(C)C1COCC1c1ccccc1.
What is the InChIKey of 3-phenyl-4-propan-2-yloxolane?
The InChIKey is LHUGCTTZEDQBHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O/c1-10(2)12-8-14-9-13(12)11-6-4-3-5-7-11/h3-7,10,12-13H,8-9H2,1-2H3.
What are the key properties of 3-phenyl-4-propan-2-yloxolane?
3-phenyl-4-propan-2-yloxolane has a molecular weight of 190.29 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-4-propan-2-yloxolane is sourced from PubChem (CID 85213034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).