butyl-phenoxy-phenylphosphane

C16H19OP — CID 90719182

IUPACbutyl-phenoxy-phenylphosphane
SMILESCCCCP(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19OP/c1-2-3-14-18(16-12-8-5-9-13-16)17-15-10-6-4-7-11-15/h4-13H,2-3,14H2,1H3
InChIKeyCPGZHNCCACXKFV-UHFFFAOYSA-N
MW258.30 g/mol
LogP4.59
Rot. Bonds6

About butyl-phenoxy-phenylphosphane

butyl-phenoxy-phenylphosphane (PubChem CID 90719182) has the molecular formula C16H19OP and a molecular weight of 258.30 g/mol. Its IUPAC name is butyl-phenoxy-phenylphosphane.

Molecular Properties

Compound Namebutyl-phenoxy-phenylphosphane
PubChem CID90719182
Molecular FormulaC16H19OP
Molecular Weight258.30 g/mol
Exact Mass258.12
IUPAC Namebutyl-phenoxy-phenylphosphane
SMILESCCCCP(Oc1ccccc1)c1ccccc1
InChIInChI=1S/C16H19OP/c1-2-3-14-18(16-12-8-5-9-13-16)17-15-10-6-4-7-11-15/h4-13H,2-3,14H2,1H3
InChIKeyCPGZHNCCACXKFV-UHFFFAOYSA-N
XLogP4.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 54.59
H-Bond Donors ≤ 50
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 butyl-phenoxy-phenylphosphane?
The IUPAC name of butyl-phenoxy-phenylphosphane (CID 90719182) is butyl-phenoxy-phenylphosphane.
What is the SMILES notation for butyl-phenoxy-phenylphosphane?
The canonical SMILES for butyl-phenoxy-phenylphosphane is CCCCP(Oc1ccccc1)c1ccccc1.
What is the InChIKey of butyl-phenoxy-phenylphosphane?
The InChIKey is CPGZHNCCACXKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19OP/c1-2-3-14-18(16-12-8-5-9-13-16)17-15-10-6-4-7-11-15/h4-13H,2-3,14H2,1H3.
What are the key properties of butyl-phenoxy-phenylphosphane?
butyl-phenoxy-phenylphosphane has a molecular weight of 258.30 g/mol, XLogP of 4.59, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butyl-phenoxy-phenylphosphane is sourced from PubChem (CID 90719182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).