4-(4-fluoro-3-phosphanylphenyl)octan-4-ol

C14H22FOP — CID 176969413

IUPAC4-(4-fluoro-3-phosphanylphenyl)octan-4-ol
SMILESCCCCC(O)(CCC)c1ccc(F)c(P)c1
InChIInChI=1S/C14H22FOP/c1-3-5-9-14(16,8-4-2)11-6-7-12(15)13(17)10-11/h6-7,10,16H,3-5,8-9,17H2,1-2H3
InChIKeyMCECSJMHYOKGES-UHFFFAOYSA-N
MW256.30 g/mol
LogP3.50
Rot. Bonds6

About 4-(4-fluoro-3-phosphanylphenyl)octan-4-ol

4-(4-fluoro-3-phosphanylphenyl)octan-4-ol (PubChem CID 176969413) has the molecular formula C14H22FOP and a molecular weight of 256.30 g/mol. Its IUPAC name is 4-(4-fluoro-3-phosphanylphenyl)octan-4-ol.

Molecular Properties

Compound Name4-(4-fluoro-3-phosphanylphenyl)octan-4-ol
PubChem CID176969413
Molecular FormulaC14H22FOP
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name4-(4-fluoro-3-phosphanylphenyl)octan-4-ol
SMILESCCCCC(O)(CCC)c1ccc(F)c(P)c1
InChIInChI=1S/C14H22FOP/c1-3-5-9-14(16,8-4-2)11-6-7-12(15)13(17)10-11/h6-7,10,16H,3-5,8-9,17H2,1-2H3
InChIKeyMCECSJMHYOKGES-UHFFFAOYSA-N
XLogP3.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoro-3-phosphanylphenyl)octan-4-ol?
The IUPAC name of 4-(4-fluoro-3-phosphanylphenyl)octan-4-ol (CID 176969413) is 4-(4-fluoro-3-phosphanylphenyl)octan-4-ol.
What is the SMILES notation for 4-(4-fluoro-3-phosphanylphenyl)octan-4-ol?
The canonical SMILES for 4-(4-fluoro-3-phosphanylphenyl)octan-4-ol is CCCCC(O)(CCC)c1ccc(F)c(P)c1.
What is the InChIKey of 4-(4-fluoro-3-phosphanylphenyl)octan-4-ol?
The InChIKey is MCECSJMHYOKGES-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FOP/c1-3-5-9-14(16,8-4-2)11-6-7-12(15)13(17)10-11/h6-7,10,16H,3-5,8-9,17H2,1-2H3.
What are the key properties of 4-(4-fluoro-3-phosphanylphenyl)octan-4-ol?
4-(4-fluoro-3-phosphanylphenyl)octan-4-ol has a molecular weight of 256.30 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoro-3-phosphanylphenyl)octan-4-ol is sourced from PubChem (CID 176969413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).