3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol

C23H19F3O — CID 13300819

IUPAC3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21
InChIInChI=1S/C23H19F3O/c24-23(25,26)20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)22(27)14-19/h1-12,19,22,27H,13-14H2
InChIKeyFKQNJKXXKPXZGK-UHFFFAOYSA-N
MW368.40 g/mol
LogP6.14
Rot. Bonds2

About 3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol

3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol (PubChem CID 13300819) has the molecular formula C23H19F3O and a molecular weight of 368.40 g/mol. Its IUPAC name is 3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol.

Molecular Properties

Compound Name3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol
PubChem CID13300819
Molecular FormulaC23H19F3O
Molecular Weight368.40 g/mol
Exact Mass368.14
IUPAC Name3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol
SMILESOC1CC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21
InChIInChI=1S/C23H19F3O/c24-23(25,26)20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)22(27)14-19/h1-12,19,22,27H,13-14H2
InChIKeyFKQNJKXXKPXZGK-UHFFFAOYSA-N
XLogP6.14
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.40
LogP ≤ 56.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The IUPAC name of 3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol (CID 13300819) is 3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol.
What is the SMILES notation for 3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The canonical SMILES for 3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol is OC1CC(c2ccc(-c3ccc(C(F)(F)F)cc3)cc2)Cc2ccccc21.
What is the InChIKey of 3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
The InChIKey is FKQNJKXXKPXZGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3O/c24-23(25,26)20-11-9-16(10-12-20)15-5-7-17(8-6-15)19-13-18-3-1-2-4-21(18)22(27)14-19/h1-12,19,22,27H,13-14H2.
What are the key properties of 3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol?
3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol has a molecular weight of 368.40 g/mol, XLogP of 6.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(trifluoromethyl)phenyl]phenyl]-1,2,3,4-tetrahydronaphthalen-1-ol is sourced from PubChem (CID 13300819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).