chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium

C19H25ClO2P+ — CID 175044014

IUPACchloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium
SMILESCCC(C)(C)[P+](Cl)(Oc1ccc(C)cc1)Oc1ccc(C)cc1
InChIInChI=1S/C19H25ClO2P/c1-6-19(4,5)23(20,21-17-11-7-15(2)8-12-17)22-18-13-9-16(3)10-14-18/h7-14H,6H2,1-5H3/q+1
InChIKeyAEWWLRJIMZMKEG-UHFFFAOYSA-N
MW351.83 g/mol
LogP6.95
Rot. Bonds6

About chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium

chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium (PubChem CID 175044014) has the molecular formula C19H25ClO2P+ and a molecular weight of 351.83 g/mol. Its IUPAC name is chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium.

Molecular Properties

Compound Namechloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium
PubChem CID175044014
Molecular FormulaC19H25ClO2P+
Molecular Weight351.83 g/mol
Exact Mass351.13
IUPAC Namechloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium
SMILESCCC(C)(C)[P+](Cl)(Oc1ccc(C)cc1)Oc1ccc(C)cc1
InChIInChI=1S/C19H25ClO2P/c1-6-19(4,5)23(20,21-17-11-7-15(2)8-12-17)22-18-13-9-16(3)10-14-18/h7-14H,6H2,1-5H3/q+1
InChIKeyAEWWLRJIMZMKEG-UHFFFAOYSA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.83
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-4-(2-methylbutan-2-yloxy)benzene
CID 572689
chloro-bis(4-methylphenoxy)-(2-methylpropoxy)phosphanium
CID 175546666
iodo-tris(4-methylphenoxy)phosphanium
CID 139153583
1-methyl-4-[4-(2-methylbutan-2-yloxy)phenoxy]benzene
CID 145340247
ethoxy-diethyl-(4-methylphenoxy)phosphanium
CID 175002684
1-(3,3-dimethylbutan-2-yloxy)-4-methylbenzene
CID 90324406
3,3-dimethylpentane;ethane;1,4-xylene
CID 142196202
1-(diethoxymethoxy)-4-methylbenzene
CID 86206447
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
1-(2-chloro-1,1,2-trifluoroethoxy)-4-(4-methylphenyl)benzene
CID 20668720
1-(1-chloro-2,2-dimethylbutyl)-4-methoxybenzene
CID 63428940
1-methoxy-4-methylbenzene;propane
CID 142064987

Frequently Asked Questions

What is the IUPAC name of chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium?
The IUPAC name of chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium (CID 175044014) is chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium.
What is the SMILES notation for chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium?
The canonical SMILES for chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium is CCC(C)(C)[P+](Cl)(Oc1ccc(C)cc1)Oc1ccc(C)cc1.
What is the InChIKey of chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium?
The InChIKey is AEWWLRJIMZMKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClO2P/c1-6-19(4,5)23(20,21-17-11-7-15(2)8-12-17)22-18-13-9-16(3)10-14-18/h7-14H,6H2,1-5H3/q+1.
What are the key properties of chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium?
chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium has a molecular weight of 351.83 g/mol, XLogP of 6.95, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2-methylbutan-2-yl)-bis(4-methylphenoxy)phosphanium is sourced from PubChem (CID 175044014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).