(2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium

C27H26O4P+ — CID 71403133

IUPAC(2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium
SMILESCOc1ccc([P+](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccccc2O)cc1
InChIInChI=1S/C27H25O4P/c1-29-20-8-14-23(15-9-20)32(27-7-5-4-6-26(27)28,24-16-10-21(30-2)11-17-24)25-18-12-22(31-3)13-19-25/h4-19H,1-3H3/p+1
InChIKeyWTWQAZHNTXTFBP-UHFFFAOYSA-O
MW445.48 g/mol
LogP4.04
Rot. Bonds7

About (2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium

(2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium (PubChem CID 71403133) has the molecular formula C27H26O4P+ and a molecular weight of 445.48 g/mol. Its IUPAC name is (2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium.

Molecular Properties

Compound Name(2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium
PubChem CID71403133
Molecular FormulaC27H26O4P+
Molecular Weight445.48 g/mol
Exact Mass445.16
IUPAC Name(2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium
SMILESCOc1ccc([P+](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccccc2O)cc1
InChIInChI=1S/C27H25O4P/c1-29-20-8-14-23(15-9-20)32(27-7-5-4-6-26(27)28,24-16-10-21(30-2)11-17-24)25-18-12-22(31-3)13-19-25/h4-19H,1-3H3/p+1
InChIKeyWTWQAZHNTXTFBP-UHFFFAOYSA-O
XLogP4.04
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzene-1,2-diol;4-methoxyphenol
CID 70292826
2-(4-methoxyphenoxy)phenol
CID 54145402
[(2R)-1-(4-methoxyphenyl)-1-oxopropan-2-yl] 2-hydroxybenzoate
CID 7484933
anisole;2-methylphenol
CID 159950071
methane;4-methoxyphenol
CID 159494332
anthracene-9,10-dione;ethane;4-methoxyphenol
CID 90695266
2-[1-(4-methoxyphenyl)ethyl]benzene-1,3-diol
CID 175586674
1-methoxy-4-methylbenzene;phenol
CID 167630836
1-methoxy-4-phenylbenzene;4-(4-methoxyphenyl)phenol
CID 69347648
2-[(4-methoxyphenyl)-phenylmethoxy]ethanol
CID 54566814
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385

Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium?
The IUPAC name of (2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium (CID 71403133) is (2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium.
What is the SMILES notation for (2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium?
The canonical SMILES for (2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium is COc1ccc([P+](c2ccc(OC)cc2)(c2ccc(OC)cc2)c2ccccc2O)cc1.
What is the InChIKey of (2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium?
The InChIKey is WTWQAZHNTXTFBP-UHFFFAOYSA-O. The full InChI is InChI=1S/C27H25O4P/c1-29-20-8-14-23(15-9-20)32(27-7-5-4-6-26(27)28,24-16-10-21(30-2)11-17-24)25-18-12-22(31-3)13-19-25/h4-19H,1-3H3/p+1.
What are the key properties of (2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium?
(2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium has a molecular weight of 445.48 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl)-tris(4-methoxyphenyl)phosphanium is sourced from PubChem (CID 71403133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).