chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium

C18H23ClO3P+ — CID 175546666

IUPACchloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium
SMILESCc1ccc(O[P+](Cl)(OCC(C)C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23ClO3P/c1-14(2)13-20-23(19,21-17-9-5-15(3)6-10-17)22-18-11-7-16(4)8-12-18/h5-12,14H,13H2,1-4H3/q+1
InChIKeyNNDNTYRSAFTGSF-UHFFFAOYSA-N
MW353.81 g/mol
LogP6.35
Rot. Bonds7

About chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium

chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium (PubChem CID 175546666) has the molecular formula C18H23ClO3P+ and a molecular weight of 353.81 g/mol. Its IUPAC name is chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium.

Molecular Properties

Compound Namechloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium
PubChem CID175546666
Molecular FormulaC18H23ClO3P+
Molecular Weight353.81 g/mol
Exact Mass353.11
IUPAC Namechloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium
SMILESCc1ccc(O[P+](Cl)(OCC(C)C)Oc2ccc(C)cc2)cc1
InChIInChI=1S/C18H23ClO3P/c1-14(2)13-20-23(19,21-17-9-5-15(3)6-10-17)22-18-11-7-16(4)8-12-18/h5-12,14H,13H2,1-4H3/q+1
InChIKeyNNDNTYRSAFTGSF-UHFFFAOYSA-N
XLogP6.35
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.81
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium?
The IUPAC name of chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium (CID 175546666) is chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium.
What is the SMILES notation for chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium?
The canonical SMILES for chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium is Cc1ccc(O[P+](Cl)(OCC(C)C)Oc2ccc(C)cc2)cc1.
What is the InChIKey of chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium?
The InChIKey is NNDNTYRSAFTGSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClO3P/c1-14(2)13-20-23(19,21-17-9-5-15(3)6-10-17)22-18-11-7-16(4)8-12-18/h5-12,14H,13H2,1-4H3/q+1.
What are the key properties of chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium?
chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium has a molecular weight of 353.81 g/mol, XLogP of 6.35, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium is sourced from PubChem (CID 175546666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).