trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium

C15H18O3P+ — CID 175105136

IUPACtrihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium
SMILESCC(C)(c1ccccc1)c1ccc([P+](O)(O)O)cc1
InChIInChI=1S/C15H18O3P/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)19(16,17)18/h3-11,16-18H,1-2H3/q+1
InChIKeyALUDRPVQHIAGNU-UHFFFAOYSA-N
MW277.28 g/mol
LogP2.38
Rot. Bonds3

About trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium

trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium (PubChem CID 175105136) has the molecular formula C15H18O3P+ and a molecular weight of 277.28 g/mol. Its IUPAC name is trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium.

Molecular Properties

Compound Nametrihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium
PubChem CID175105136
Molecular FormulaC15H18O3P+
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Nametrihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium
SMILESCC(C)(c1ccccc1)c1ccc([P+](O)(O)O)cc1
InChIInChI=1S/C15H18O3P/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)19(16,17)18/h3-11,16-18H,1-2H3/q+1
InChIKeyALUDRPVQHIAGNU-UHFFFAOYSA-N
XLogP2.38
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 52.38
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

2-phenylpropan-2-ylbenzene
CID 13065
[4-(2-phenylpropan-2-yl)phenoxy]methanediol
CID 134502712
copper;tetrakis(4-(2-phenylpropan-2-yl)phenol)
CID 87921790
formaldehyde;4-[2-(4-hydroxyphenyl)propan-2-yl]phenol;phenol
CID 67560880
[chloro(phenyl)methyl]benzene;isocyanic acid;2-phenylpropan-2-ylbenzene
CID 173413700
CID 171375456
CID 171375456
triphenyl-[4-[4-[4-[2-[4-[4-(4-triphenylphosphaniumylbenzoyl)phenoxy]phenyl]propan-2-yl]phenoxy]benzoyl]phenyl]phosphanium dichloride
CID 169426235
(2S)-1-[4-[2-[4-[(2S)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974246
(2S)-1-[4-[2-[4-[(2R)-2-hydroxy-3-phenoxypropoxy]phenyl]propan-2-yl]phenoxy]-3-phenoxypropan-2-ol
CID 92974245
2-[2-hydroxy-5-(2-phenylpropan-2-yl)phenyl]sulfonyl-4-(2-phenylpropan-2-yl)phenol
CID 14848714
ethane;phenol;2-phenylpropan-2-ol;4-(2-phenylpropan-2-yl)phenol
CID 158640691
(2S)-1-amino-3-[4-(2-phenylpropan-2-yl)phenoxy]propan-2-ol
CID 9159184

Frequently Asked Questions

What is the IUPAC name of trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium?
The IUPAC name of trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium (CID 175105136) is trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium.
What is the SMILES notation for trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium?
The canonical SMILES for trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium is CC(C)(c1ccccc1)c1ccc([P+](O)(O)O)cc1.
What is the InChIKey of trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium?
The InChIKey is ALUDRPVQHIAGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O3P/c1-15(2,12-6-4-3-5-7-12)13-8-10-14(11-9-13)19(16,17)18/h3-11,16-18H,1-2H3/q+1.
What are the key properties of trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium?
trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium has a molecular weight of 277.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trihydroxy-[4-(2-phenylpropan-2-yl)phenyl]phosphanium is sourced from PubChem (CID 175105136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).