1-(4-fluorophenyl)-5-hydroxypentan-1-one

C11H13FO2 — CID 58518916

IUPAC1-(4-fluorophenyl)-5-hydroxypentan-1-one
SMILESO=C(CCCCO)c1ccc(F)cc1
InChIInChI=1S/C11H13FO2/c12-10-6-4-9(5-7-10)11(14)3-1-2-8-13/h4-7,13H,1-3,8H2
InChIKeyCSPIBDLLHQXFSZ-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.17
Rot. Bonds5

About 1-(4-fluorophenyl)-5-hydroxypentan-1-one

1-(4-fluorophenyl)-5-hydroxypentan-1-one (PubChem CID 58518916) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-5-hydroxypentan-1-one.

Molecular Properties

Compound Name1-(4-fluorophenyl)-5-hydroxypentan-1-one
PubChem CID58518916
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name1-(4-fluorophenyl)-5-hydroxypentan-1-one
SMILESO=C(CCCCO)c1ccc(F)cc1
InChIInChI=1S/C11H13FO2/c12-10-6-4-9(5-7-10)11(14)3-1-2-8-13/h4-7,13H,1-3,8H2
InChIKeyCSPIBDLLHQXFSZ-UHFFFAOYSA-N
XLogP2.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.17
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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Related Compounds

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12-hydroxy-1-phenyldodecan-1-one
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1-(4-fluorophenyl)oct-7-en-1-one
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1-(4-fluorophenyl)oct-7-en-1-one
CID 58518883
3-[ethyl(3-hydroxypropyl)amino]-1-(4-fluorophenyl)propan-1-one
CID 115927903
1-(4-fluorophenyl)-3-[3-hydroxypropyl(propan-2-yl)amino]propan-1-one
CID 62031112
1-(4-aminophenyl)-4-hydroxybutan-1-one
CID 53407117
4-hydroxy-1-(4-methylsulfanylphenyl)butan-1-one
CID 86219757
1-(3,4-difluorophenyl)-4-hydroxybutan-1-one
CID 82112355
2,2-diamino-1,8-bis(4-fluorophenyl)octane-1,8-dione
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ethane;6-hydroxy-1-(4-phenylphenyl)hexan-1-one
CID 142964448

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-5-hydroxypentan-1-one?
The IUPAC name of 1-(4-fluorophenyl)-5-hydroxypentan-1-one (CID 58518916) is 1-(4-fluorophenyl)-5-hydroxypentan-1-one.
What is the SMILES notation for 1-(4-fluorophenyl)-5-hydroxypentan-1-one?
The canonical SMILES for 1-(4-fluorophenyl)-5-hydroxypentan-1-one is O=C(CCCCO)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-5-hydroxypentan-1-one?
The InChIKey is CSPIBDLLHQXFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c12-10-6-4-9(5-7-10)11(14)3-1-2-8-13/h4-7,13H,1-3,8H2.
What are the key properties of 1-(4-fluorophenyl)-5-hydroxypentan-1-one?
1-(4-fluorophenyl)-5-hydroxypentan-1-one has a molecular weight of 196.22 g/mol, XLogP of 2.17, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-5-hydroxypentan-1-one is sourced from PubChem (CID 58518916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).