[4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate

C31H26ClO6P — CID 158624992

IUPAC[4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate
SMILESOCc1ccc(Oc2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C31H26O2P.ClHO4/c32-24-25-16-18-26(19-17-25)33-27-20-22-31(23-21-27)34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30;2-1(3,4)5/h1-23,32H,24H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyHYMBMBCTHXMJQG-UHFFFAOYSA-M
MW560.97 g/mol
LogP0.83
Rot. Bonds7

About [4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate

[4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate (PubChem CID 158624992) has the molecular formula C31H26ClO6P and a molecular weight of 560.97 g/mol. Its IUPAC name is [4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate.

Molecular Properties

Compound Name[4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate
PubChem CID158624992
Molecular FormulaC31H26ClO6P
Molecular Weight560.97 g/mol
Exact Mass560.12
IUPAC Name[4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate
SMILESOCc1ccc(Oc2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.[O-][Cl+3]([O-])([O-])[O-]
InChIInChI=1S/C31H26O2P.ClHO4/c32-24-25-16-18-26(19-17-25)33-27-20-22-31(23-21-27)34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30;2-1(3,4)5/h1-23,32H,24H2;(H,2,3,4,5)/q+1;/p-1
InChIKeyHYMBMBCTHXMJQG-UHFFFAOYSA-M
XLogP0.83
TPSA121.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500560.97
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

[4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium
CID 58948118
(4-phenoxyphenyl)-triphenylphosphanium
CID 102105381
hydroxy-[4-(hydroxymethyl)phenyl]-diphenylphosphanium
CID 129303936
[4-(4-bromophenoxy)phenyl]methanol
CID 28946070
[4-(bromomethyl)phenyl]-triphenylphosphanium
CID 102127372
2-(4-phenoxyphenyl)ethane-1,1-diol
CID 20703819
[4-(2-methoxyphenoxy)phenyl]methanol
CID 28946116
(3-hydroxyphenyl)-triphenylphosphanium perchlorate
CID 86077252
phenylmethanol;tungsten
CID 166544439
phenylmethanol;hydrate
CID 68812705
phenylmethanol;zirconium
CID 18688174
phenylmethanol;triphenylphosphane
CID 172697327

Frequently Asked Questions

What is the IUPAC name of [4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate?
The IUPAC name of [4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate (CID 158624992) is [4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate.
What is the SMILES notation for [4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate?
The canonical SMILES for [4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate is OCc1ccc(Oc2ccc([P+](c3ccccc3)(c3ccccc3)c3ccccc3)cc2)cc1.[O-][Cl+3]([O-])([O-])[O-].
What is the InChIKey of [4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate?
The InChIKey is HYMBMBCTHXMJQG-UHFFFAOYSA-M. The full InChI is InChI=1S/C31H26O2P.ClHO4/c32-24-25-16-18-26(19-17-25)33-27-20-22-31(23-21-27)34(28-10-4-1-5-11-28,29-12-6-2-7-13-29)30-14-8-3-9-15-30;2-1(3,4)5/h1-23,32H,24H2;(H,2,3,4,5)/q+1;/p-1.
What are the key properties of [4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate?
[4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate has a molecular weight of 560.97 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(hydroxymethyl)phenoxy]phenyl]-triphenylphosphanium perchlorate is sourced from PubChem (CID 158624992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).