19-bromononadecylphosphonic acid

C19H40BrO3P — CID 87687011

IUPAC19-bromononadecylphosphonic acid
SMILESO=P(O)(O)CCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C19H40BrO3P/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-24(21,22)23/h1-19H2,(H2,21,22,23)
InChIKeyWXWFJORNNSTSTP-UHFFFAOYSA-N
MW427.40 g/mol
LogP7.19
Rot. Bonds19

About 19-bromononadecylphosphonic acid

19-bromononadecylphosphonic acid (PubChem CID 87687011) has the molecular formula C19H40BrO3P and a molecular weight of 427.40 g/mol. Its IUPAC name is 19-bromononadecylphosphonic acid.

Molecular Properties

Compound Name19-bromononadecylphosphonic acid
PubChem CID87687011
Molecular FormulaC19H40BrO3P
Molecular Weight427.40 g/mol
Exact Mass426.19
IUPAC Name19-bromononadecylphosphonic acid
SMILESO=P(O)(O)CCCCCCCCCCCCCCCCCCCBr
InChIInChI=1S/C19H40BrO3P/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-24(21,22)23/h1-19H2,(H2,21,22,23)
InChIKeyWXWFJORNNSTSTP-UHFFFAOYSA-N
XLogP7.19
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds19
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.40
LogP ≤ 57.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 19-bromononadecylphosphonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

38-bromooctatriacontylphosphonic acid
CID 87683541
27-bromoheptacosylphosphonic acid
CID 87683484
11-bromoundecylphosphonic acid
CID 87683960
26-bromohexacosylphosphonic acid
CID 87681118
5-bromopentylphosphonic acid
CID 22708594
5-phosphonopentylphosphonic acid
CID 2773804
7-sulfanylheptylphosphonic acid
CID 87685663
hexylphosphonic acid;octylphosphonic acid
CID 155346901
17-iodoheptadecylphosphonic acid
CID 87684337
24-sulfanyltetracosylphosphonic acid
CID 87685471
10-iododecylphosphonic acid
CID 87686645
7-iodoheptylphosphonic acid
CID 87684767

Frequently Asked Questions

What is the IUPAC name of 19-bromononadecylphosphonic acid?
The IUPAC name of 19-bromononadecylphosphonic acid (CID 87687011) is 19-bromononadecylphosphonic acid.
What is the SMILES notation for 19-bromononadecylphosphonic acid?
The canonical SMILES for 19-bromononadecylphosphonic acid is O=P(O)(O)CCCCCCCCCCCCCCCCCCCBr.
What is the InChIKey of 19-bromononadecylphosphonic acid?
The InChIKey is WXWFJORNNSTSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40BrO3P/c20-18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19-24(21,22)23/h1-19H2,(H2,21,22,23).
What are the key properties of 19-bromononadecylphosphonic acid?
19-bromononadecylphosphonic acid has a molecular weight of 427.40 g/mol, XLogP of 7.19, 19 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 19-bromononadecylphosphonic acid is sourced from PubChem (CID 87687011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).