1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one

C18H19FO2 — CID 11266148

IUPAC1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one
SMILESO=C(CCCCCO)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FO2/c19-17-11-9-15(10-12-17)14-5-7-16(8-6-14)18(21)4-2-1-3-13-20/h5-12,20H,1-4,13H2
InChIKeyPKODQCORLXQVBW-UHFFFAOYSA-N
MW286.35 g/mol
LogP4.23
Rot. Bonds7

About 1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one

1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one (PubChem CID 11266148) has the molecular formula C18H19FO2 and a molecular weight of 286.35 g/mol. Its IUPAC name is 1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one.

Molecular Properties

Compound Name1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one
PubChem CID11266148
Molecular FormulaC18H19FO2
Molecular Weight286.35 g/mol
Exact Mass286.14
IUPAC Name1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one
SMILESO=C(CCCCCO)c1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C18H19FO2/c19-17-11-9-15(10-12-17)14-5-7-16(8-6-14)18(21)4-2-1-3-13-20/h5-12,20H,1-4,13H2
InChIKeyPKODQCORLXQVBW-UHFFFAOYSA-N
XLogP4.23
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.35
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one?
The IUPAC name of 1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one (CID 11266148) is 1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one.
What is the SMILES notation for 1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one?
The canonical SMILES for 1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one is O=C(CCCCCO)c1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of 1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one?
The InChIKey is PKODQCORLXQVBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO2/c19-17-11-9-15(10-12-17)14-5-7-16(8-6-14)18(21)4-2-1-3-13-20/h5-12,20H,1-4,13H2.
What are the key properties of 1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one?
1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one has a molecular weight of 286.35 g/mol, XLogP of 4.23, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-fluorophenyl)phenyl]-6-hydroxyhexan-1-one is sourced from PubChem (CID 11266148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).