4-[4-(4-fluorophenyl)hexan-3-yl]phenol

C18H21FO — CID 3418410

IUPAC4-[4-(4-fluorophenyl)hexan-3-yl]phenol
SMILESCCC(c1ccc(O)cc1)C(CC)c1ccc(F)cc1
InChIInChI=1S/C18H21FO/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-18,20H,3-4H2,1-2H3
InChIKeyIPXYROUXWHVCDA-UHFFFAOYSA-N
MW272.36 g/mol
LogP5.22
Rot. Bonds5

About 4-[4-(4-fluorophenyl)hexan-3-yl]phenol

4-[4-(4-fluorophenyl)hexan-3-yl]phenol (PubChem CID 3418410) has the molecular formula C18H21FO and a molecular weight of 272.36 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)hexan-3-yl]phenol.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)hexan-3-yl]phenol
PubChem CID3418410
Molecular FormulaC18H21FO
Molecular Weight272.36 g/mol
Exact Mass272.16
IUPAC Name4-[4-(4-fluorophenyl)hexan-3-yl]phenol
SMILESCCC(c1ccc(O)cc1)C(CC)c1ccc(F)cc1
InChIInChI=1S/C18H21FO/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-18,20H,3-4H2,1-2H3
InChIKeyIPXYROUXWHVCDA-UHFFFAOYSA-N
XLogP5.22
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.36
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 4-[4-(4-fluorophenyl)hexan-3-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-fluorophenyl)hexan-3-yl]phenol?
The IUPAC name of 4-[4-(4-fluorophenyl)hexan-3-yl]phenol (CID 3418410) is 4-[4-(4-fluorophenyl)hexan-3-yl]phenol.
What is the SMILES notation for 4-[4-(4-fluorophenyl)hexan-3-yl]phenol?
The canonical SMILES for 4-[4-(4-fluorophenyl)hexan-3-yl]phenol is CCC(c1ccc(O)cc1)C(CC)c1ccc(F)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)hexan-3-yl]phenol?
The InChIKey is IPXYROUXWHVCDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FO/c1-3-17(13-5-9-15(19)10-6-13)18(4-2)14-7-11-16(20)12-8-14/h5-12,17-18,20H,3-4H2,1-2H3.
What are the key properties of 4-[4-(4-fluorophenyl)hexan-3-yl]phenol?
4-[4-(4-fluorophenyl)hexan-3-yl]phenol has a molecular weight of 272.36 g/mol, XLogP of 5.22, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)hexan-3-yl]phenol is sourced from PubChem (CID 3418410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).