2-(4-phenylpentyl)-4-(trifluoromethyl)phenol

C18H19F3O — CID 172602814

IUPAC2-(4-phenylpentyl)-4-(trifluoromethyl)phenol
SMILESCC(CCCc1cc(C(F)(F)F)ccc1O)c1ccccc1
InChIInChI=1S/C18H19F3O/c1-13(14-7-3-2-4-8-14)6-5-9-15-12-16(18(19,20)21)10-11-17(15)22/h2-4,7-8,10-13,22H,5-6,9H2,1H3
InChIKeyBLUTXXMRONEDDK-UHFFFAOYSA-N
MW308.34 g/mol
LogP5.54
Rot. Bonds5

About 2-(4-phenylpentyl)-4-(trifluoromethyl)phenol

2-(4-phenylpentyl)-4-(trifluoromethyl)phenol (PubChem CID 172602814) has the molecular formula C18H19F3O and a molecular weight of 308.34 g/mol. Its IUPAC name is 2-(4-phenylpentyl)-4-(trifluoromethyl)phenol.

Molecular Properties

Compound Name2-(4-phenylpentyl)-4-(trifluoromethyl)phenol
PubChem CID172602814
Molecular FormulaC18H19F3O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name2-(4-phenylpentyl)-4-(trifluoromethyl)phenol
SMILESCC(CCCc1cc(C(F)(F)F)ccc1O)c1ccccc1
InChIInChI=1S/C18H19F3O/c1-13(14-7-3-2-4-8-14)6-5-9-15-12-16(18(19,20)21)10-11-17(15)22/h2-4,7-8,10-13,22H,5-6,9H2,1H3
InChIKeyBLUTXXMRONEDDK-UHFFFAOYSA-N
XLogP5.54
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.34
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylpentyl)-4-(trifluoromethyl)phenol?
The IUPAC name of 2-(4-phenylpentyl)-4-(trifluoromethyl)phenol (CID 172602814) is 2-(4-phenylpentyl)-4-(trifluoromethyl)phenol.
What is the SMILES notation for 2-(4-phenylpentyl)-4-(trifluoromethyl)phenol?
The canonical SMILES for 2-(4-phenylpentyl)-4-(trifluoromethyl)phenol is CC(CCCc1cc(C(F)(F)F)ccc1O)c1ccccc1.
What is the InChIKey of 2-(4-phenylpentyl)-4-(trifluoromethyl)phenol?
The InChIKey is BLUTXXMRONEDDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3O/c1-13(14-7-3-2-4-8-14)6-5-9-15-12-16(18(19,20)21)10-11-17(15)22/h2-4,7-8,10-13,22H,5-6,9H2,1H3.
What are the key properties of 2-(4-phenylpentyl)-4-(trifluoromethyl)phenol?
2-(4-phenylpentyl)-4-(trifluoromethyl)phenol has a molecular weight of 308.34 g/mol, XLogP of 5.54, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylpentyl)-4-(trifluoromethyl)phenol is sourced from PubChem (CID 172602814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).