butyl phenyl hydrogen phosphate

C10H15O4P — CID 15591288

IUPACbutyl phenyl hydrogen phosphate
SMILESCCCCOP(=O)(O)Oc1ccccc1
InChIInChI=1S/C10H15O4P/c1-2-3-9-13-15(11,12)14-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,11,12)
InChIKeyGTORMKXYQMWBEP-UHFFFAOYSA-N
MW230.20 g/mol
LogP2.98
Rot. Bonds6

About butyl phenyl hydrogen phosphate

butyl phenyl hydrogen phosphate (PubChem CID 15591288) has the molecular formula C10H15O4P and a molecular weight of 230.20 g/mol. Its IUPAC name is butyl phenyl hydrogen phosphate.

Molecular Properties

Compound Namebutyl phenyl hydrogen phosphate
PubChem CID15591288
Molecular FormulaC10H15O4P
Molecular Weight230.20 g/mol
Exact Mass230.07
IUPAC Namebutyl phenyl hydrogen phosphate
SMILESCCCCOP(=O)(O)Oc1ccccc1
InChIInChI=1S/C10H15O4P/c1-2-3-9-13-15(11,12)14-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,11,12)
InChIKeyGTORMKXYQMWBEP-UHFFFAOYSA-N
XLogP2.98
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.20
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of butyl phenyl hydrogen phosphate?
The IUPAC name of butyl phenyl hydrogen phosphate (CID 15591288) is butyl phenyl hydrogen phosphate.
What is the SMILES notation for butyl phenyl hydrogen phosphate?
The canonical SMILES for butyl phenyl hydrogen phosphate is CCCCOP(=O)(O)Oc1ccccc1.
What is the InChIKey of butyl phenyl hydrogen phosphate?
The InChIKey is GTORMKXYQMWBEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15O4P/c1-2-3-9-13-15(11,12)14-10-7-5-4-6-8-10/h4-8H,2-3,9H2,1H3,(H,11,12).
What are the key properties of butyl phenyl hydrogen phosphate?
butyl phenyl hydrogen phosphate has a molecular weight of 230.20 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl phenyl hydrogen phosphate is sourced from PubChem (CID 15591288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).