dimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride

C18H28BrClO2P2 — CID 174051701

IUPACdimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride
SMILESBr.CC(Oc1ccccc1)P(C)C.CC(P)Oc1ccccc1.Cl
InChIInChI=1S/C10H15OP.C8H11OP.BrH.ClH/c1-9(12(2)3)11-10-7-5-4-6-8-10;1-7(10)9-8-5-3-2-4-6-8;;/h4-9H,1-3H3;2-7H,10H2,1H3;2*1H
InChIKeyCNXPNRYZZPCXSB-UHFFFAOYSA-N
MW453.73 g/mol
LogP6.44
Rot. Bonds5

About dimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride

dimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride (PubChem CID 174051701) has the molecular formula C18H28BrClO2P2 and a molecular weight of 453.73 g/mol. Its IUPAC name is dimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride.

Molecular Properties

Compound Namedimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride
PubChem CID174051701
Molecular FormulaC18H28BrClO2P2
Molecular Weight453.73 g/mol
Exact Mass452.04
IUPAC Namedimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride
SMILESBr.CC(Oc1ccccc1)P(C)C.CC(P)Oc1ccccc1.Cl
InChIInChI=1S/C10H15OP.C8H11OP.BrH.ClH/c1-9(12(2)3)11-10-7-5-4-6-8-10;1-7(10)9-8-5-3-2-4-6-8;;/h4-9H,1-3H3;2-7H,10H2,1H3;2*1H
InChIKeyCNXPNRYZZPCXSB-UHFFFAOYSA-N
XLogP6.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.73
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of dimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride?
The IUPAC name of dimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride (CID 174051701) is dimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride.
What is the SMILES notation for dimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride?
The canonical SMILES for dimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride is Br.CC(Oc1ccccc1)P(C)C.CC(P)Oc1ccccc1.Cl.
What is the InChIKey of dimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride?
The InChIKey is CNXPNRYZZPCXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15OP.C8H11OP.BrH.ClH/c1-9(12(2)3)11-10-7-5-4-6-8-10;1-7(10)9-8-5-3-2-4-6-8;;/h4-9H,1-3H3;2-7H,10H2,1H3;2*1H.
What are the key properties of dimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride?
dimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride has a molecular weight of 453.73 g/mol, XLogP of 6.44, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(1-phenoxyethyl)phosphane;1-phenoxyethylphosphane;hydrobromide;hydrochloride is sourced from PubChem (CID 174051701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).