hydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium

C8H10O5PS+ — CID 175504485

IUPAChydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium
SMILESCOc1ccc([S@](=O)CO[P+](=O)O)cc1
InChIInChI=1S/C8H9O5PS/c1-12-7-2-4-8(5-3-7)15(11)6-13-14(9)10/h2-5H,6H2,1H3/p+1/t15-/m1/s1
InChIKeyOLQCJRJFHCDYHS-OAHLLOKOSA-O
MW249.20 g/mol
LogP1.43
Rot. Bonds5

About hydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium

hydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium (PubChem CID 175504485) has the molecular formula C8H10O5PS+ and a molecular weight of 249.20 g/mol. Its IUPAC name is hydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium.

Molecular Properties

Compound Namehydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium
PubChem CID175504485
Molecular FormulaC8H10O5PS+
Molecular Weight249.20 g/mol
Exact Mass249.00
IUPAC Namehydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium
SMILESCOc1ccc([S@](=O)CO[P+](=O)O)cc1
InChIInChI=1S/C8H9O5PS/c1-12-7-2-4-8(5-3-7)15(11)6-13-14(9)10/h2-5H,6H2,1H3/p+1/t15-/m1/s1
InChIKeyOLQCJRJFHCDYHS-OAHLLOKOSA-O
XLogP1.43
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.20
LogP ≤ 51.43
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

bis[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium
CID 175504483
1-(1-deuterio-1-protio(113C)ethyl)sulfinyl-4-methoxybenzene
CID 58500304
1-(4-methoxyphenyl)sulfinylpropan-2-amine
CID 64658921
1-methoxy-4-(113C)methylsulfinylbenzene
CID 58500277
2-[4-[(4-methoxyphenyl)methylsulfinyl]phenyl]acetic acid
CID 64927206
4-[(4-methoxyphenyl)sulfinylmethyl]benzoic acid
CID 60710231
2-[(S)-(4-methoxyphenyl)sulfinyl]-1,1-diphenylethanol
CID 11864321
bis[[(S)-(4-methoxyphenyl)methylsulfinyl]methoxy]-oxophosphanium
CID 175504393
N-[2-(4-methoxyphenyl)sulfinylethyl]propan-1-amine
CID 64659114
4-[(4-methoxyphenyl)methylsulfinyl]aniline
CID 61368872
1-cyclohexyl-2-(4-methoxyphenyl)sulfinylethanone
CID 113449619
1-(3-methoxyphenyl)-2-(4-methoxyphenyl)sulfinylethanone
CID 64635946

Frequently Asked Questions

What is the IUPAC name of hydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium?
The IUPAC name of hydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium (CID 175504485) is hydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium.
What is the SMILES notation for hydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium?
The canonical SMILES for hydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium is COc1ccc([S@](=O)CO[P+](=O)O)cc1.
What is the InChIKey of hydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium?
The InChIKey is OLQCJRJFHCDYHS-OAHLLOKOSA-O. The full InChI is InChI=1S/C8H9O5PS/c1-12-7-2-4-8(5-3-7)15(11)6-13-14(9)10/h2-5H,6H2,1H3/p+1/t15-/m1/s1.
What are the key properties of hydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium?
hydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium has a molecular weight of 249.20 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[[(S)-(4-methoxyphenyl)sulfinyl]methoxy]-oxophosphanium is sourced from PubChem (CID 175504485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).