7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol

C15H12F2O — CID 64986608

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol
SMILESOC(c1cc(F)cc(F)c1)C1Cc2ccccc21
InChIInChI=1S/C15H12F2O/c16-11-5-10(6-12(17)8-11)15(18)14-7-9-3-1-2-4-13(9)14/h1-6,8,14-15,18H,7H2
InChIKeyRFUMKOFYTHQUHL-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.34
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol (PubChem CID 64986608) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol
PubChem CID64986608
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol
SMILESOC(c1cc(F)cc(F)c1)C1Cc2ccccc21
InChIInChI=1S/C15H12F2O/c16-11-5-10(6-12(17)8-11)15(18)14-7-9-3-1-2-4-13(9)14/h1-6,8,14-15,18H,7H2
InChIKeyRFUMKOFYTHQUHL-UHFFFAOYSA-N
XLogP3.34
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol (CID 64986608) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol is OC(c1cc(F)cc(F)c1)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol?
The InChIKey is RFUMKOFYTHQUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c16-11-5-10(6-12(17)8-11)15(18)14-7-9-3-1-2-4-13(9)14/h1-6,8,14-15,18H,7H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol has a molecular weight of 246.26 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(3,5-difluorophenyl)methanol is sourced from PubChem (CID 64986608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).