(4-ethenyl-5-phenyloxolan-3-yl)methanol

C13H16O2 — CID 101456903

IUPAC(4-ethenyl-5-phenyloxolan-3-yl)methanol
SMILESC=CC1C(CO)COC1c1ccccc1
InChIInChI=1S/C13H16O2/c1-2-12-11(8-14)9-15-13(12)10-6-4-3-5-7-10/h2-7,11-14H,1,8-9H2
InChIKeyDBJANAMIRUSYIN-UHFFFAOYSA-N
MW204.27 g/mol
LogP2.17
Rot. Bonds3

About (4-ethenyl-5-phenyloxolan-3-yl)methanol

(4-ethenyl-5-phenyloxolan-3-yl)methanol (PubChem CID 101456903) has the molecular formula C13H16O2 and a molecular weight of 204.27 g/mol. Its IUPAC name is (4-ethenyl-5-phenyloxolan-3-yl)methanol.

Molecular Properties

Compound Name(4-ethenyl-5-phenyloxolan-3-yl)methanol
PubChem CID101456903
Molecular FormulaC13H16O2
Molecular Weight204.27 g/mol
Exact Mass204.12
IUPAC Name(4-ethenyl-5-phenyloxolan-3-yl)methanol
SMILESC=CC1C(CO)COC1c1ccccc1
InChIInChI=1S/C13H16O2/c1-2-12-11(8-14)9-15-13(12)10-6-4-3-5-7-10/h2-7,11-14H,1,8-9H2
InChIKeyDBJANAMIRUSYIN-UHFFFAOYSA-N
XLogP2.17
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-ethenyl-5-phenyloxolan-3-yl)methanol?
The IUPAC name of (4-ethenyl-5-phenyloxolan-3-yl)methanol (CID 101456903) is (4-ethenyl-5-phenyloxolan-3-yl)methanol.
What is the SMILES notation for (4-ethenyl-5-phenyloxolan-3-yl)methanol?
The canonical SMILES for (4-ethenyl-5-phenyloxolan-3-yl)methanol is C=CC1C(CO)COC1c1ccccc1.
What is the InChIKey of (4-ethenyl-5-phenyloxolan-3-yl)methanol?
The InChIKey is DBJANAMIRUSYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16O2/c1-2-12-11(8-14)9-15-13(12)10-6-4-3-5-7-10/h2-7,11-14H,1,8-9H2.
What are the key properties of (4-ethenyl-5-phenyloxolan-3-yl)methanol?
(4-ethenyl-5-phenyloxolan-3-yl)methanol has a molecular weight of 204.27 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethenyl-5-phenyloxolan-3-yl)methanol is sourced from PubChem (CID 101456903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).