5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol

C15H22O3 — CID 10538648

IUPAC5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol
SMILESCOC1CC(O)(CCc2ccccc2)C(C)(C)O1
InChIInChI=1S/C15H22O3/c1-14(2)15(16,11-13(17-3)18-14)10-9-12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3
InChIKeyUOFVQYXPYWRWJJ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.52
Rot. Bonds4

About 5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol

5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol (PubChem CID 10538648) has the molecular formula C15H22O3 and a molecular weight of 250.34 g/mol. Its IUPAC name is 5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol.

Molecular Properties

Compound Name5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol
PubChem CID10538648
Molecular FormulaC15H22O3
Molecular Weight250.34 g/mol
Exact Mass250.16
IUPAC Name5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol
SMILESCOC1CC(O)(CCc2ccccc2)C(C)(C)O1
InChIInChI=1S/C15H22O3/c1-14(2)15(16,11-13(17-3)18-14)10-9-12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3
InChIKeyUOFVQYXPYWRWJJ-UHFFFAOYSA-N
XLogP2.52
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol?
The IUPAC name of 5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol (CID 10538648) is 5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol.
What is the SMILES notation for 5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol?
The canonical SMILES for 5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol is COC1CC(O)(CCc2ccccc2)C(C)(C)O1.
What is the InChIKey of 5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol?
The InChIKey is UOFVQYXPYWRWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3/c1-14(2)15(16,11-13(17-3)18-14)10-9-12-7-5-4-6-8-12/h4-8,13,16H,9-11H2,1-3H3.
What are the key properties of 5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol?
5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol has a molecular weight of 250.34 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol is sourced from PubChem (CID 10538648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).