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

C14H20O2 — CID 10560891

IUPAC2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol
SMILESCC1(C)OCCC1(O)CCc1ccccc1
InChIInChI=1S/C14H20O2/c1-13(2)14(15,10-11-16-13)9-8-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3
InChIKeyKTIHAPPQPVXQOV-UHFFFAOYSA-N
MW220.31 g/mol
LogP2.55
Rot. Bonds3

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

2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol (PubChem CID 10560891) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol.

Molecular Properties

Compound Name2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol
PubChem CID10560891
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol
SMILESCC1(C)OCCC1(O)CCc1ccccc1
InChIInChI=1S/C14H20O2/c1-13(2)14(15,10-11-16-13)9-8-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3
InChIKeyKTIHAPPQPVXQOV-UHFFFAOYSA-N
XLogP2.55
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol?
The IUPAC name of 2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol (CID 10560891) is 2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol.
What is the SMILES notation for 2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol?
The canonical SMILES for 2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol is CC1(C)OCCC1(O)CCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol?
The InChIKey is KTIHAPPQPVXQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O2/c1-13(2)14(15,10-11-16-13)9-8-12-6-4-3-5-7-12/h3-7,15H,8-11H2,1-2H3.
What are the key properties of 2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol?
2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol has a molecular weight of 220.31 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(2-phenylethyl)oxolan-3-ol is sourced from PubChem (CID 10560891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).