hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium

C7H8O3PS+ — CID 174196737

IUPAChydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium
SMILESO=[P+](O)SCc1ccc(O)cc1
InChIInChI=1S/C7H7O3PS/c8-7-3-1-6(2-4-7)5-12-11(9)10/h1-4H,5H2,(H-,8,9,10)/p+1
InChIKeyIDAGNBGMJSWKMS-UHFFFAOYSA-O
MW203.18 g/mol
LogP2.28
Rot. Bonds3

About hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium

hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium (PubChem CID 174196737) has the molecular formula C7H8O3PS+ and a molecular weight of 203.18 g/mol. Its IUPAC name is hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium
PubChem CID174196737
Molecular FormulaC7H8O3PS+
Molecular Weight203.18 g/mol
Exact Mass202.99
IUPAC Namehydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium
SMILESO=[P+](O)SCc1ccc(O)cc1
InChIInChI=1S/C7H7O3PS/c8-7-3-1-6(2-4-7)5-12-11(9)10/h1-4H,5H2,(H-,8,9,10)/p+1
InChIKeyIDAGNBGMJSWKMS-UHFFFAOYSA-O
XLogP2.28
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.18
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

butane;4-(hydroxysulfanylmethyl)phenol
CID 174726296
4-[(4-hydroxyphenyl)methyl]phenol
CID 12111
sodium;hydride;(4-hydroxyphenyl)methyl formate
CID 173269022
(4-hydroxyphenyl)methyl hydrogen carbonate
CID 19956654
1,3-bis(4-hydroxyphenyl)propan-2-one
CID 159297209
N-(4-hydroxyphenyl)-4-(methylsulfanylmethyl)benzamide
CID 51193769
4-(2-benzylsulfanylethyl)phenol
CID 160730782
ethane;4-(2-methylsulfanylethyl)phenol
CID 154657371
4-[bis[(4-hydroxyphenyl)methoxy]methoxymethyl]phenol
CID 164929839
2-(4-hydroxyphenyl)ethanethial
CID 54570188
4-(nitrosomethyl)phenol
CID 54346225
(4-hydroxyphenyl)methyl-oxophosphanium
CID 154446529

Frequently Asked Questions

What is the IUPAC name of hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium?
The IUPAC name of hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium (CID 174196737) is hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium.
What is the SMILES notation for hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium?
The canonical SMILES for hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium is O=[P+](O)SCc1ccc(O)cc1.
What is the InChIKey of hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium?
The InChIKey is IDAGNBGMJSWKMS-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7O3PS/c8-7-3-1-6(2-4-7)5-12-11(9)10/h1-4H,5H2,(H-,8,9,10)/p+1.
What are the key properties of hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium?
hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium has a molecular weight of 203.18 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[(4-hydroxyphenyl)methylsulfanyl]-oxophosphanium is sourced from PubChem (CID 174196737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).