[2,4,6-tris(2-methylpropoxy)phenyl]phosphanide

C18H30O3P- — CID 141016614

IUPAC[2,4,6-tris(2-methylpropoxy)phenyl]phosphanide
SMILESCC(C)COc1cc(OCC(C)C)c([PH-])c(OCC(C)C)c1
InChIInChI=1S/C18H30O3P/c1-12(2)9-19-15-7-16(20-10-13(3)4)18(22)17(8-15)21-11-14(5)6/h7-8,12-14,22H,9-11H2,1-6H3/q-1
InChIKeyJXFDQIWVDNVADT-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.56
Rot. Bonds9

About [2,4,6-tris(2-methylpropoxy)phenyl]phosphanide

[2,4,6-tris(2-methylpropoxy)phenyl]phosphanide (PubChem CID 141016614) has the molecular formula C18H30O3P- and a molecular weight of 325.41 g/mol. Its IUPAC name is [2,4,6-tris(2-methylpropoxy)phenyl]phosphanide.

Molecular Properties

Compound Name[2,4,6-tris(2-methylpropoxy)phenyl]phosphanide
PubChem CID141016614
Molecular FormulaC18H30O3P-
Molecular Weight325.41 g/mol
Exact Mass325.19
IUPAC Name[2,4,6-tris(2-methylpropoxy)phenyl]phosphanide
SMILESCC(C)COc1cc(OCC(C)C)c([PH-])c(OCC(C)C)c1
InChIInChI=1S/C18H30O3P/c1-12(2)9-19-15-7-16(20-10-13(3)4)18(22)17(8-15)21-11-14(5)6/h7-8,12-14,22H,9-11H2,1-6H3/q-1
InChIKeyJXFDQIWVDNVADT-UHFFFAOYSA-N
XLogP4.56
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-methoxy-5-(2-methylpropoxy)benzonitrile
CID 103566832
1,2-dimethyl-4-(2-methylpropoxy)benzene
CID 20812254
1-ethyl-4-(2-methylpropoxy)-2-propan-2-yloxybenzene
CID 123447747
1-(chloromethyl)-4-methoxy-2-(2-methylpropoxy)benzene
CID 61268907
2,6-dimethyl-4-(2-methylpropoxy)benzoic acid
CID 59820032
5-chloro-2-(2-methylpropoxy)phenol
CID 59319916
2-butoxy-4-(2-methylpropoxy)aniline
CID 155920753
CID 70016726
CID 70016726
1-fluoro-4,5-dimethyl-2-(2-methylpropoxy)benzene
CID 154939698
5-(2-methylpropoxy)pyrimidine
CID 58125465
lithium;(2,6-dimethoxyphenyl)-[2,4,6-tris(2-methylpropoxy)phenyl]phosphanylmethanone;hydride
CID 173245850
1-(2-methylpropoxy)-3-propan-2-ylbenzene
CID 23399142

Frequently Asked Questions

What is the IUPAC name of [2,4,6-tris(2-methylpropoxy)phenyl]phosphanide?
The IUPAC name of [2,4,6-tris(2-methylpropoxy)phenyl]phosphanide (CID 141016614) is [2,4,6-tris(2-methylpropoxy)phenyl]phosphanide.
What is the SMILES notation for [2,4,6-tris(2-methylpropoxy)phenyl]phosphanide?
The canonical SMILES for [2,4,6-tris(2-methylpropoxy)phenyl]phosphanide is CC(C)COc1cc(OCC(C)C)c([PH-])c(OCC(C)C)c1.
What is the InChIKey of [2,4,6-tris(2-methylpropoxy)phenyl]phosphanide?
The InChIKey is JXFDQIWVDNVADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3P/c1-12(2)9-19-15-7-16(20-10-13(3)4)18(22)17(8-15)21-11-14(5)6/h7-8,12-14,22H,9-11H2,1-6H3/q-1.
What are the key properties of [2,4,6-tris(2-methylpropoxy)phenyl]phosphanide?
[2,4,6-tris(2-methylpropoxy)phenyl]phosphanide has a molecular weight of 325.41 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,4,6-tris(2-methylpropoxy)phenyl]phosphanide is sourced from PubChem (CID 141016614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).