(2-cyclohexylphenoxy)-prop-2-enylphosphinic acid

C15H21O3P — CID 87155307

IUPAC(2-cyclohexylphenoxy)-prop-2-enylphosphinic acid
SMILESC=CCP(=O)(O)Oc1ccccc1C1CCCCC1
InChIInChI=1S/C15H21O3P/c1-2-12-19(16,17)18-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2,6-7,10-11,13H,1,3-5,8-9,12H2,(H,16,17)
InChIKeyROXANOXIZZQAEU-UHFFFAOYSA-N
MW280.30 g/mol
LogP4.48
Rot. Bonds5

About (2-cyclohexylphenoxy)-prop-2-enylphosphinic acid

(2-cyclohexylphenoxy)-prop-2-enylphosphinic acid (PubChem CID 87155307) has the molecular formula C15H21O3P and a molecular weight of 280.30 g/mol. Its IUPAC name is (2-cyclohexylphenoxy)-prop-2-enylphosphinic acid.

Molecular Properties

Compound Name(2-cyclohexylphenoxy)-prop-2-enylphosphinic acid
PubChem CID87155307
Molecular FormulaC15H21O3P
Molecular Weight280.30 g/mol
Exact Mass280.12
IUPAC Name(2-cyclohexylphenoxy)-prop-2-enylphosphinic acid
SMILESC=CCP(=O)(O)Oc1ccccc1C1CCCCC1
InChIInChI=1S/C15H21O3P/c1-2-12-19(16,17)18-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2,6-7,10-11,13H,1,3-5,8-9,12H2,(H,16,17)
InChIKeyROXANOXIZZQAEU-UHFFFAOYSA-N
XLogP4.48
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylphenoxy)-prop-2-enylphosphinic acid?
The IUPAC name of (2-cyclohexylphenoxy)-prop-2-enylphosphinic acid (CID 87155307) is (2-cyclohexylphenoxy)-prop-2-enylphosphinic acid.
What is the SMILES notation for (2-cyclohexylphenoxy)-prop-2-enylphosphinic acid?
The canonical SMILES for (2-cyclohexylphenoxy)-prop-2-enylphosphinic acid is C=CCP(=O)(O)Oc1ccccc1C1CCCCC1.
What is the InChIKey of (2-cyclohexylphenoxy)-prop-2-enylphosphinic acid?
The InChIKey is ROXANOXIZZQAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21O3P/c1-2-12-19(16,17)18-15-11-7-6-10-14(15)13-8-4-3-5-9-13/h2,6-7,10-11,13H,1,3-5,8-9,12H2,(H,16,17).
What are the key properties of (2-cyclohexylphenoxy)-prop-2-enylphosphinic acid?
(2-cyclohexylphenoxy)-prop-2-enylphosphinic acid has a molecular weight of 280.30 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylphenoxy)-prop-2-enylphosphinic acid is sourced from PubChem (CID 87155307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).