[4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium

C19H18O6P3+ — CID 89031152

IUPAC[4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium
SMILESCc1ccc(P(c2ccc(OP(O)O)cc2)c2ccc(O[P+](=O)O)cc2)cc1
InChIInChI=1S/C19H17O6P3/c1-14-2-8-17(9-3-14)26(18-10-4-15(5-11-18)24-27(20)21)19-12-6-16(7-13-19)25-28(22)23/h2-13,20-21H,1H3/p+1
InChIKeySZEIVJIRMNRBHD-UHFFFAOYSA-O
MW435.27 g/mol
LogP3.37
Rot. Bonds7

About [4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium

[4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium (PubChem CID 89031152) has the molecular formula C19H18O6P3+ and a molecular weight of 435.27 g/mol. Its IUPAC name is [4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium.

Molecular Properties

Compound Name[4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium
PubChem CID89031152
Molecular FormulaC19H18O6P3+
Molecular Weight435.27 g/mol
Exact Mass435.03
IUPAC Name[4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium
SMILESCc1ccc(P(c2ccc(OP(O)O)cc2)c2ccc(O[P+](=O)O)cc2)cc1
InChIInChI=1S/C19H17O6P3/c1-14-2-8-17(9-3-14)26(18-10-4-15(5-11-18)24-27(20)21)19-12-6-16(7-13-19)25-28(22)23/h2-13,20-21H,1H3/p+1
InChIKeySZEIVJIRMNRBHD-UHFFFAOYSA-O
XLogP3.37
TPSA96.22 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 53.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium?
The IUPAC name of [4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium (CID 89031152) is [4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium.
What is the SMILES notation for [4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium?
The canonical SMILES for [4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium is Cc1ccc(P(c2ccc(OP(O)O)cc2)c2ccc(O[P+](=O)O)cc2)cc1.
What is the InChIKey of [4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium?
The InChIKey is SZEIVJIRMNRBHD-UHFFFAOYSA-O. The full InChI is InChI=1S/C19H17O6P3/c1-14-2-8-17(9-3-14)26(18-10-4-15(5-11-18)24-27(20)21)19-12-6-16(7-13-19)25-28(22)23/h2-13,20-21H,1H3/p+1.
What are the key properties of [4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium?
[4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium has a molecular weight of 435.27 g/mol, XLogP of 3.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4-dihydroxyphosphanyloxyphenyl)-(4-methylphenyl)phosphanyl]phenoxy]-hydroxy-oxophosphanium is sourced from PubChem (CID 89031152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).