3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol

C15H18O2 — CID 171958772

IUPAC3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESC=C(c1ccccc1)C1(O)CC2CCC(C1)O2
InChIInChI=1S/C15H18O2/c1-11(12-5-3-2-4-6-12)15(16)9-13-7-8-14(10-15)17-13/h2-6,13-14,16H,1,7-10H2
InChIKeyXSUYBIJIHDUMIE-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.77
Rot. Bonds2

About 3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol

3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol (PubChem CID 171958772) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol.

Molecular Properties

Compound Name3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol
PubChem CID171958772
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Name3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol
SMILESC=C(c1ccccc1)C1(O)CC2CCC(C1)O2
InChIInChI=1S/C15H18O2/c1-11(12-5-3-2-4-6-12)15(16)9-13-7-8-14(10-15)17-13/h2-6,13-14,16H,1,7-10H2
InChIKeyXSUYBIJIHDUMIE-UHFFFAOYSA-N
XLogP2.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The IUPAC name of 3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol (CID 171958772) is 3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol.
What is the SMILES notation for 3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The canonical SMILES for 3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol is C=C(c1ccccc1)C1(O)CC2CCC(C1)O2.
What is the InChIKey of 3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
The InChIKey is XSUYBIJIHDUMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-11(12-5-3-2-4-6-12)15(16)9-13-7-8-14(10-15)17-13/h2-6,13-14,16H,1,7-10H2.
What are the key properties of 3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol?
3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol has a molecular weight of 230.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylethenyl)-8-oxabicyclo[3.2.1]octan-3-ol is sourced from PubChem (CID 171958772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).