(2-chlorophenoxy)-dipentylphosphane

C16H26ClOP — CID 134288679

IUPAC(2-chlorophenoxy)-dipentylphosphane
SMILESCCCCCP(CCCCC)Oc1ccccc1Cl
InChIInChI=1S/C16H26ClOP/c1-3-5-9-13-19(14-10-6-4-2)18-16-12-8-7-11-15(16)17/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
InChIKeyDPKDPTAOXUIXPT-UHFFFAOYSA-N
MW300.81 g/mol
LogP6.50
Rot. Bonds10

About (2-chlorophenoxy)-dipentylphosphane

(2-chlorophenoxy)-dipentylphosphane (PubChem CID 134288679) has the molecular formula C16H26ClOP and a molecular weight of 300.81 g/mol. Its IUPAC name is (2-chlorophenoxy)-dipentylphosphane.

Molecular Properties

Compound Name(2-chlorophenoxy)-dipentylphosphane
PubChem CID134288679
Molecular FormulaC16H26ClOP
Molecular Weight300.81 g/mol
Exact Mass300.14
IUPAC Name(2-chlorophenoxy)-dipentylphosphane
SMILESCCCCCP(CCCCC)Oc1ccccc1Cl
InChIInChI=1S/C16H26ClOP/c1-3-5-9-13-19(14-10-6-4-2)18-16-12-8-7-11-15(16)17/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3
InChIKeyDPKDPTAOXUIXPT-UHFFFAOYSA-N
XLogP6.50
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.81
LogP ≤ 56.50
H-Bond Donors ≤ 50
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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Frequently Asked Questions

What is the IUPAC name of (2-chlorophenoxy)-dipentylphosphane?
The IUPAC name of (2-chlorophenoxy)-dipentylphosphane (CID 134288679) is (2-chlorophenoxy)-dipentylphosphane.
What is the SMILES notation for (2-chlorophenoxy)-dipentylphosphane?
The canonical SMILES for (2-chlorophenoxy)-dipentylphosphane is CCCCCP(CCCCC)Oc1ccccc1Cl.
What is the InChIKey of (2-chlorophenoxy)-dipentylphosphane?
The InChIKey is DPKDPTAOXUIXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClOP/c1-3-5-9-13-19(14-10-6-4-2)18-16-12-8-7-11-15(16)17/h7-8,11-12H,3-6,9-10,13-14H2,1-2H3.
What are the key properties of (2-chlorophenoxy)-dipentylphosphane?
(2-chlorophenoxy)-dipentylphosphane has a molecular weight of 300.81 g/mol, XLogP of 6.50, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenoxy)-dipentylphosphane is sourced from PubChem (CID 134288679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).