7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol

C19H15FO — CID 66395768

IUPAC7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol
SMILESOC(c1ccc(F)c2ccccc12)C1Cc2ccccc21
InChIInChI=1S/C19H15FO/c20-18-10-9-16(14-7-3-4-8-15(14)18)19(21)17-11-12-5-1-2-6-13(12)17/h1-10,17,19,21H,11H2
InChIKeyXONITTJZRIYSMY-UHFFFAOYSA-N
MW278.33 g/mol
LogP4.35
Rot. Bonds2

About 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol

7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol (PubChem CID 66395768) has the molecular formula C19H15FO and a molecular weight of 278.33 g/mol. Its IUPAC name is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol.

Molecular Properties

Compound Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol
PubChem CID66395768
Molecular FormulaC19H15FO
Molecular Weight278.33 g/mol
Exact Mass278.11
IUPAC Name7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol
SMILESOC(c1ccc(F)c2ccccc12)C1Cc2ccccc21
InChIInChI=1S/C19H15FO/c20-18-10-9-16(14-7-3-4-8-15(14)18)19(21)17-11-12-5-1-2-6-13(12)17/h1-10,17,19,21H,11H2
InChIKeyXONITTJZRIYSMY-UHFFFAOYSA-N
XLogP4.35
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol?
The IUPAC name of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol (CID 66395768) is 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol.
What is the SMILES notation for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol?
The canonical SMILES for 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol is OC(c1ccc(F)c2ccccc12)C1Cc2ccccc21.
What is the InChIKey of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol?
The InChIKey is XONITTJZRIYSMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FO/c20-18-10-9-16(14-7-3-4-8-15(14)18)19(21)17-11-12-5-1-2-6-13(12)17/h1-10,17,19,21H,11H2.
What are the key properties of 7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol?
7-bicyclo[4.2.0]octa-1,3,5-trienyl-(4-fluoronaphthalen-1-yl)methanol has a molecular weight of 278.33 g/mol, XLogP of 4.35, 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-(4-fluoronaphthalen-1-yl)methanol is sourced from PubChem (CID 66395768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).