3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol

C19H11F3O — CID 134473464

IUPAC3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol
SMILESCc1ccc(-c2ccc3c(c2F)-c2c-3cc(O)c(F)c2F)cc1
InChIInChI=1S/C19H11F3O/c1-9-2-4-10(5-3-9)11-6-7-12-13-8-14(23)18(21)19(22)16(13)15(12)17(11)20/h2-8,23H,1H3
InChIKeyZCFHNBDMYGJTGM-UHFFFAOYSA-N
MW312.29 g/mol
LogP5.43
Rot. Bonds1

About 3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol

3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol (PubChem CID 134473464) has the molecular formula C19H11F3O and a molecular weight of 312.29 g/mol. Its IUPAC name is 3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol.

Molecular Properties

Compound Name3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol
PubChem CID134473464
Molecular FormulaC19H11F3O
Molecular Weight312.29 g/mol
Exact Mass312.08
IUPAC Name3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol
SMILESCc1ccc(-c2ccc3c(c2F)-c2c-3cc(O)c(F)c2F)cc1
InChIInChI=1S/C19H11F3O/c1-9-2-4-10(5-3-9)11-6-7-12-13-8-14(23)18(21)19(22)16(13)15(12)17(11)20/h2-8,23H,1H3
InChIKeyZCFHNBDMYGJTGM-UHFFFAOYSA-N
XLogP5.43
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.29
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol?
The IUPAC name of 3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol (CID 134473464) is 3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol.
What is the SMILES notation for 3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol?
The canonical SMILES for 3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol is Cc1ccc(-c2ccc3c(c2F)-c2c-3cc(O)c(F)c2F)cc1.
What is the InChIKey of 3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol?
The InChIKey is ZCFHNBDMYGJTGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F3O/c1-9-2-4-10(5-3-9)11-6-7-12-13-8-14(23)18(21)19(22)16(13)15(12)17(11)20/h2-8,23H,1H3.
What are the key properties of 3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol?
3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol has a molecular weight of 312.29 g/mol, XLogP of 5.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-6-(4-methylphenyl)biphenylen-2-ol is sourced from PubChem (CID 134473464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).