6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one

C19H21FO2 — CID 24881685

IUPAC6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one
SMILESCOC(CC(=O)CCc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C19H21FO2/c1-22-19(13-16-7-10-17(20)11-8-16)14-18(21)12-9-15-5-3-2-4-6-15/h2-8,10-11,19H,9,12-14H2,1H3
InChIKeySEWZQLUKCJQPPQ-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.98
Rot. Bonds8

About 6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one

6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one (PubChem CID 24881685) has the molecular formula C19H21FO2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one
PubChem CID24881685
Molecular FormulaC19H21FO2
Molecular Weight300.37 g/mol
Exact Mass300.15
IUPAC Name6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one
SMILESCOC(CC(=O)CCc1ccccc1)Cc1ccc(F)cc1
InChIInChI=1S/C19H21FO2/c1-22-19(13-16-7-10-17(20)11-8-16)14-18(21)12-9-15-5-3-2-4-6-15/h2-8,10-11,19H,9,12-14H2,1H3
InChIKeySEWZQLUKCJQPPQ-UHFFFAOYSA-N
XLogP3.98
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one?
The IUPAC name of 6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one (CID 24881685) is 6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one.
What is the SMILES notation for 6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one?
The canonical SMILES for 6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one is COC(CC(=O)CCc1ccccc1)Cc1ccc(F)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one?
The InChIKey is SEWZQLUKCJQPPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FO2/c1-22-19(13-16-7-10-17(20)11-8-16)14-18(21)12-9-15-5-3-2-4-6-15/h2-8,10-11,19H,9,12-14H2,1H3.
What are the key properties of 6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one?
6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one has a molecular weight of 300.37 g/mol, XLogP of 3.98, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-methoxy-1-phenylhexan-3-one is sourced from PubChem (CID 24881685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).