2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol

C16H17FO2 — CID 155686228

IUPAC2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol
SMILESCCCC(O)(c1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C16H17FO2/c1-2-11-16(19,12-7-9-13(17)10-8-12)14-5-3-4-6-15(14)18/h3-10,18-19H,2,11H2,1H3
InChIKeyJEPBVRHATSPLAR-UHFFFAOYSA-N
MW260.31 g/mol
LogP3.57
Rot. Bonds4

About 2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol

2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol (PubChem CID 155686228) has the molecular formula C16H17FO2 and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol
PubChem CID155686228
Molecular FormulaC16H17FO2
Molecular Weight260.31 g/mol
Exact Mass260.12
IUPAC Name2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol
SMILESCCCC(O)(c1ccc(F)cc1)c1ccccc1O
InChIInChI=1S/C16H17FO2/c1-2-11-16(19,12-7-9-13(17)10-8-12)14-5-3-4-6-15(14)18/h3-10,18-19H,2,11H2,1H3
InChIKeyJEPBVRHATSPLAR-UHFFFAOYSA-N
XLogP3.57
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol?
The IUPAC name of 2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol (CID 155686228) is 2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol?
The canonical SMILES for 2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol is CCCC(O)(c1ccc(F)cc1)c1ccccc1O.
What is the InChIKey of 2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol?
The InChIKey is JEPBVRHATSPLAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FO2/c1-2-11-16(19,12-7-9-13(17)10-8-12)14-5-3-4-6-15(14)18/h3-10,18-19H,2,11H2,1H3.
What are the key properties of 2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol?
2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol has a molecular weight of 260.31 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-1-hydroxybutyl]phenol is sourced from PubChem (CID 155686228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).