6-phenylphosphanylhexanoic acid

C12H17O2P — CID 159172711

IUPAC6-phenylphosphanylhexanoic acid
SMILESO=C(O)CCCCCPc1ccccc1
InChIInChI=1S/C12H17O2P/c13-12(14)9-5-2-6-10-15-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
InChIKeyKLWVZINOTUBNRP-UHFFFAOYSA-N
MW224.24 g/mol
LogP2.64
Rot. Bonds7

About 6-phenylphosphanylhexanoic acid

6-phenylphosphanylhexanoic acid (PubChem CID 159172711) has the molecular formula C12H17O2P and a molecular weight of 224.24 g/mol. Its IUPAC name is 6-phenylphosphanylhexanoic acid.

Molecular Properties

Compound Name6-phenylphosphanylhexanoic acid
PubChem CID159172711
Molecular FormulaC12H17O2P
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name6-phenylphosphanylhexanoic acid
SMILESO=C(O)CCCCCPc1ccccc1
InChIInChI=1S/C12H17O2P/c13-12(14)9-5-2-6-10-15-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14)
InChIKeyKLWVZINOTUBNRP-UHFFFAOYSA-N
XLogP2.64
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

pentanedioic acid;phenol
CID 160999244
decanedioic acid;phthalic acid
CID 67564124
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350
9-phenoxynonanoic acid
CID 15887638
calcium;hydride;octadecanoic acid;phenol
CID 173411979
15-phenylpentadecanoic acid
CID 2737151
8-oxo-9,9-diphenylnonanoic acid
CID 58248727
benzenethiol;hexanedioic acid
CID 70583090
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511

Frequently Asked Questions

What is the IUPAC name of 6-phenylphosphanylhexanoic acid?
The IUPAC name of 6-phenylphosphanylhexanoic acid (CID 159172711) is 6-phenylphosphanylhexanoic acid.
What is the SMILES notation for 6-phenylphosphanylhexanoic acid?
The canonical SMILES for 6-phenylphosphanylhexanoic acid is O=C(O)CCCCCPc1ccccc1.
What is the InChIKey of 6-phenylphosphanylhexanoic acid?
The InChIKey is KLWVZINOTUBNRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O2P/c13-12(14)9-5-2-6-10-15-11-7-3-1-4-8-11/h1,3-4,7-8,15H,2,5-6,9-10H2,(H,13,14).
What are the key properties of 6-phenylphosphanylhexanoic acid?
6-phenylphosphanylhexanoic acid has a molecular weight of 224.24 g/mol, XLogP of 2.64, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenylphosphanylhexanoic acid is sourced from PubChem (CID 159172711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).