1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol

C17H17FO — CID 105373456

IUPAC1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)C1Cc2ccccc21
InChIInChI=1S/C17H17FO/c1-11-6-7-14(18)8-13(11)10-17(19)16-9-12-4-2-3-5-15(12)16/h2-8,16-17,19H,9-10H2,1H3
InChIKeyQTRZTPDDDDQGPZ-UHFFFAOYSA-N
MW256.32 g/mol
LogP3.38
Rot. Bonds3

About 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol

1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol (PubChem CID 105373456) has the molecular formula C17H17FO and a molecular weight of 256.32 g/mol. Its IUPAC name is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol
PubChem CID105373456
Molecular FormulaC17H17FO
Molecular Weight256.32 g/mol
Exact Mass256.13
IUPAC Name1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol
SMILESCc1ccc(F)cc1CC(O)C1Cc2ccccc21
InChIInChI=1S/C17H17FO/c1-11-6-7-14(18)8-13(11)10-17(19)16-9-12-4-2-3-5-15(12)16/h2-8,16-17,19H,9-10H2,1H3
InChIKeyQTRZTPDDDDQGPZ-UHFFFAOYSA-N
XLogP3.38
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.32
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The IUPAC name of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol (CID 105373456) is 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol.
What is the SMILES notation for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The canonical SMILES for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol is Cc1ccc(F)cc1CC(O)C1Cc2ccccc21.
What is the InChIKey of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol?
The InChIKey is QTRZTPDDDDQGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FO/c1-11-6-7-14(18)8-13(11)10-17(19)16-9-12-4-2-3-5-15(12)16/h2-8,16-17,19H,9-10H2,1H3.
What are the key properties of 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol?
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol has a molecular weight of 256.32 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-2-(5-fluoro-2-methylphenyl)ethanol is sourced from PubChem (CID 105373456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).