bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium

C19H26O3P+ — CID 70632558

IUPACbis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium
SMILESCc1cc(C)c(C(c2c(C)cc(C)cc2C)[P+](O)(O)O)c(C)c1
InChIInChI=1S/C19H26O3P/c1-11-7-13(3)17(14(4)8-11)19(23(20,21)22)18-15(5)9-12(2)10-16(18)6/h7-10,19-22H,1-6H3/q+1
InChIKeyZXTYMAAANOAPTH-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.37
Rot. Bonds3

About bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium

bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium (PubChem CID 70632558) has the molecular formula C19H26O3P+ and a molecular weight of 333.39 g/mol. Its IUPAC name is bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium.

Molecular Properties

Compound Namebis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium
PubChem CID70632558
Molecular FormulaC19H26O3P+
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC Namebis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium
SMILESCc1cc(C)c(C(c2c(C)cc(C)cc2C)[P+](O)(O)O)c(C)c1
InChIInChI=1S/C19H26O3P/c1-11-7-13(3)17(14(4)8-11)19(23(20,21)22)18-15(5)9-12(2)10-16(18)6/h7-10,19-22H,1-6H3/q+1
InChIKeyZXTYMAAANOAPTH-UHFFFAOYSA-N
XLogP4.37
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 56621266
CID 56621266
hydroxy-(2,4,6-trimethylphenyl)methanesulfonic acid
CID 103574351
trihydroxy-(2,4,6-trimethylphenyl)phosphanium
CID 67570561
(1S,2S)-1,2-bis(2,4,6-trimethylphenyl)ethane-1,2-diamine
CID 11289465
2-(2,4,6-trimethylphenyl)propane-1,3-diol
CID 82112091
2-(hydroxyamino)-1-(2,4,6-trimethylphenyl)ethanol
CID 82112148
2-(2,4,6-trimethylphenyl)propan-1-ol
CID 64989562
propan-2-ol;1,3,5-trimethylbenzene;1,3,5-trimethyl-2,4-di(propan-2-yl)benzene;1,3,5-trimethyl-2-propan-2-ylbenzene;1,3,5-trimethyl-2,4,6-tri(propan-2-yl)benzene
CID 161101106
(3,5-dibromophenyl)-(2,4,6-trimethylphenyl)methanol
CID 107980714
3-methyl-1-(2,4,6-trimethylphenyl)but-3-en-1-ol
CID 115816847
(2R)-2-(2,4,6-trimethylphenyl)propanoic acid
CID 54026726
chloro-(2,4,6-trimethylphenyl)methanamine
CID 116947745

Frequently Asked Questions

What is the IUPAC name of bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium?
The IUPAC name of bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium (CID 70632558) is bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium.
What is the SMILES notation for bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium?
The canonical SMILES for bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium is Cc1cc(C)c(C(c2c(C)cc(C)cc2C)[P+](O)(O)O)c(C)c1.
What is the InChIKey of bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium?
The InChIKey is ZXTYMAAANOAPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O3P/c1-11-7-13(3)17(14(4)8-11)19(23(20,21)22)18-15(5)9-12(2)10-16(18)6/h7-10,19-22H,1-6H3/q+1.
What are the key properties of bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium?
bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium has a molecular weight of 333.39 g/mol, XLogP of 4.37, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2,4,6-trimethylphenyl)methyl-trihydroxyphosphanium is sourced from PubChem (CID 70632558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).