1-(4-fluorophenyl)-5-hydroxydecan-3-one

C16H23FO2 — CID 137432349

IUPAC1-(4-fluorophenyl)-5-hydroxydecan-3-one
SMILESCCCCCC(O)CC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C16H23FO2/c1-2-3-4-5-15(18)12-16(19)11-8-13-6-9-14(17)10-7-13/h6-7,9-10,15,18H,2-5,8,11-12H2,1H3
InChIKeyBAFRDHHVYIFMGK-UHFFFAOYSA-N
MW266.36 g/mol
LogP3.66
Rot. Bonds9

About 1-(4-fluorophenyl)-5-hydroxydecan-3-one

1-(4-fluorophenyl)-5-hydroxydecan-3-one (PubChem CID 137432349) has the molecular formula C16H23FO2 and a molecular weight of 266.36 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-hydroxydecan-3-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-hydroxydecan-3-one
PubChem CID137432349
Molecular FormulaC16H23FO2
Molecular Weight266.36 g/mol
Exact Mass266.17
IUPAC Name1-(4-fluorophenyl)-5-hydroxydecan-3-one
SMILESCCCCCC(O)CC(=O)CCc1ccc(F)cc1
InChIInChI=1S/C16H23FO2/c1-2-3-4-5-15(18)12-16(19)11-8-13-6-9-14(17)10-7-13/h6-7,9-10,15,18H,2-5,8,11-12H2,1H3
InChIKeyBAFRDHHVYIFMGK-UHFFFAOYSA-N
XLogP3.66
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 53.66
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-fluorophenyl)-5-hydroxydecan-3-one?
The IUPAC name of 1-(4-fluorophenyl)-5-hydroxydecan-3-one (CID 137432349) is 1-(4-fluorophenyl)-5-hydroxydecan-3-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-hydroxydecan-3-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-hydroxydecan-3-one is CCCCCC(O)CC(=O)CCc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-hydroxydecan-3-one?
The InChIKey is BAFRDHHVYIFMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2/c1-2-3-4-5-15(18)12-16(19)11-8-13-6-9-14(17)10-7-13/h6-7,9-10,15,18H,2-5,8,11-12H2,1H3.
What are the key properties of 1-(4-fluorophenyl)-5-hydroxydecan-3-one?
1-(4-fluorophenyl)-5-hydroxydecan-3-one has a molecular weight of 266.36 g/mol, XLogP of 3.66, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-hydroxydecan-3-one is sourced from PubChem (CID 137432349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).