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

C17H15F3O — CID 115816721

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC(CC1Cc2ccccc21)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3O/c18-17(19,20)15-8-4-3-7-14(15)16(21)10-12-9-11-5-1-2-6-13(11)12/h1-8,12,16,21H,9-10H2
InChIKeyRVVDSTMIGFZYLM-UHFFFAOYSA-N
MW292.30 g/mol
LogP4.47
Rot. Bonds3

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

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol (PubChem CID 115816721) has the molecular formula C17H15F3O and a molecular weight of 292.30 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol
PubChem CID115816721
Molecular FormulaC17H15F3O
Molecular Weight292.30 g/mol
Exact Mass292.11
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol
SMILESOC(CC1Cc2ccccc21)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H15F3O/c18-17(19,20)15-8-4-3-7-14(15)16(21)10-12-9-11-5-1-2-6-13(11)12/h1-8,12,16,21H,9-10H2
InChIKeyRVVDSTMIGFZYLM-UHFFFAOYSA-N
XLogP4.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3-chloro-2-fluorophenyl)ethanol
CID 66418586
(1S)-2-amino-1-[2-(trifluoromethyl)phenyl]ethanol
CID 40787149
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(3,5-dibromophenyl)ethanol
CID 107978498
2-pyrrolidin-2-yl-1-[2-(trifluoromethyl)phenyl]ethanol
CID 81467198
cyclohexyl-[2-(trifluoromethyl)phenyl]methanol
CID 62801472
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-(4-chloro-2-methoxyphenyl)ethanol
CID 115816661
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 105003546
(3S)-3-hydroxy-3-[2-(trifluoromethyl)phenyl]propanoic acid
CID 94425338
(1R)-3-amino-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 96951616
2-(6-methylpiperidin-2-yl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 116685748
2-(1,2,2,3,3,4,4,5,5-nonafluorocyclopentyl)-1-[2-(trifluoromethyl)phenyl]ethanol
CID 162348022
1-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)pent-4-en-2-ol
CID 116659873

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol (CID 115816721) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol is OC(CC1Cc2ccccc21)c1ccccc1C(F)(F)F.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
The InChIKey is RVVDSTMIGFZYLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3O/c18-17(19,20)15-8-4-3-7-14(15)16(21)10-12-9-11-5-1-2-6-13(11)12/h1-8,12,16,21H,9-10H2.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol has a molecular weight of 292.30 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-1-[2-(trifluoromethyl)phenyl]ethanol is sourced from PubChem (CID 115816721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).