3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol

C16H15F3O — CID 170887677

IUPAC3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol
SMILESOCCCc1cccc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3O/c17-16(18,19)15-8-2-7-14(11-15)13-6-1-4-12(10-13)5-3-9-20/h1-2,4,6-8,10-11,20H,3,5,9H2
InChIKeyUWCGZVWABCONHI-UHFFFAOYSA-N
MW280.29 g/mol
LogP4.30
Rot. Bonds4

About 3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol

3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol (PubChem CID 170887677) has the molecular formula C16H15F3O and a molecular weight of 280.29 g/mol. Its IUPAC name is 3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol.

Molecular Properties

Compound Name3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol
PubChem CID170887677
Molecular FormulaC16H15F3O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol
SMILESOCCCc1cccc(-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C16H15F3O/c17-16(18,19)15-8-2-7-14(11-15)13-6-1-4-12(10-13)5-3-9-20/h1-2,4,6-8,10-11,20H,3,5,9H2
InChIKeyUWCGZVWABCONHI-UHFFFAOYSA-N
XLogP4.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
2-[4-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 10683160
3-[3-(3-fluorophenyl)phenyl]propan-1-ol
CID 58166151
3-[3-[3-[3-(3-aminopropyl)phenyl]-5-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 71678762
3-[4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]propan-1-ol
CID 15059584
5-(3-phenylphenyl)pentan-1-ol
CID 57054310
[3-amino-5-[3-(trifluoromethyl)phenyl]phenyl]methanol
CID 146020152
[5-[3-(trifluoromethyl)phenyl]-3-pyridinyl]methanol
CID 24729851
1-hexyl-3-[4-(trifluoromethyl)phenyl]benzene
CID 91286869
diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 162621887
3-[7-methoxy-2-[3-(trifluoromethyl)phenyl]-1-benzofuran-5-yl]propan-1-ol
CID 122686391
2-[2-[3-(trifluoromethyl)phenyl]phenyl]ethanol
CID 122476365

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol?
The IUPAC name of 3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol (CID 170887677) is 3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol.
What is the SMILES notation for 3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol?
The canonical SMILES for 3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol is OCCCc1cccc(-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol?
The InChIKey is UWCGZVWABCONHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F3O/c17-16(18,19)15-8-2-7-14(11-15)13-6-1-4-12(10-13)5-3-9-20/h1-2,4,6-8,10-11,20H,3,5,9H2.
What are the key properties of 3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol?
3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol has a molecular weight of 280.29 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-(trifluoromethyl)phenyl]phenyl]propan-1-ol is sourced from PubChem (CID 170887677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).