sodium 2-hydroxypropyl (4-methoxyphenyl) phosphate

C10H14NaO6P — CID 101457626

IUPACsodium 2-hydroxypropyl (4-methoxyphenyl) phosphate
SMILESCOc1ccc(OP(=O)([O-])OCC(C)O)cc1.[Na+]
InChIInChI=1S/C10H15O6P.Na/c1-8(11)7-15-17(12,13)16-10-5-3-9(14-2)4-6-10;/h3-6,8,11H,7H2,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyZYOMJWUBCAHNPP-UHFFFAOYSA-M
MW284.18 g/mol
LogP-2.06
Rot. Bonds6

About sodium 2-hydroxypropyl (4-methoxyphenyl) phosphate

sodium 2-hydroxypropyl (4-methoxyphenyl) phosphate (PubChem CID 101457626) has the molecular formula C10H14NaO6P and a molecular weight of 284.18 g/mol. Its IUPAC name is sodium 2-hydroxypropyl (4-methoxyphenyl) phosphate.

Molecular Properties

Compound Namesodium 2-hydroxypropyl (4-methoxyphenyl) phosphate
PubChem CID101457626
Molecular FormulaC10H14NaO6P
Molecular Weight284.18 g/mol
Exact Mass284.04
IUPAC Namesodium 2-hydroxypropyl (4-methoxyphenyl) phosphate
SMILESCOc1ccc(OP(=O)([O-])OCC(C)O)cc1.[Na+]
InChIInChI=1S/C10H15O6P.Na/c1-8(11)7-15-17(12,13)16-10-5-3-9(14-2)4-6-10;/h3-6,8,11H,7H2,1-2H3,(H,12,13);/q;+1/p-1
InChIKeyZYOMJWUBCAHNPP-UHFFFAOYSA-M
XLogP-2.06
TPSA88.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.18
LogP ≤ 5-2.06
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

sodium [4-[(E)-4-(4-methoxyphenyl)hex-3-en-3-yl]phenyl] phenyl phosphate
CID 23702042
6,6-bis(4-methoxy-N-(4-methoxyphenyl)anilino)hexan-2-ol
CID 151344339
sodium bis[4-[5-(4-hydroxyphenyl)heptan-3-yl]phenyl] phosphate
CID 159223986
(4-methoxyphenoxy)phosphonamidic acid
CID 121349218
sodium 4-methylpentyl [4-(2-phenylethyl)phenyl] phosphate
CID 23696500
(4-methoxyphenyl)-dioxido-oxo-λ5-phosphane
CID 7004098
(1S)-1-(4-methoxyphenyl)sulfonylethanol
CID 95474142
[hydroxy-(4-methoxyphenoxy)phosphoryl]formic acid
CID 512082
(1R,3S)-1-(4-methoxyphenyl)butane-1,3-diol
CID 101493823
sodium (4-methoxyphenyl) [3-(2,4,6-trimethylbenzoyl)phenyl] phosphate
CID 23708345
N-[(2R)-2-hydroxypropyl]-2-(4-methoxyphenoxy)acetamide
CID 83032439
bis(2-methylpropoxy)phosphoryl-(4-methoxyphenyl)methanamine
CID 102572312

Frequently Asked Questions

What is the IUPAC name of sodium 2-hydroxypropyl (4-methoxyphenyl) phosphate?
The IUPAC name of sodium 2-hydroxypropyl (4-methoxyphenyl) phosphate (CID 101457626) is sodium 2-hydroxypropyl (4-methoxyphenyl) phosphate.
What is the SMILES notation for sodium 2-hydroxypropyl (4-methoxyphenyl) phosphate?
The canonical SMILES for sodium 2-hydroxypropyl (4-methoxyphenyl) phosphate is COc1ccc(OP(=O)([O-])OCC(C)O)cc1.[Na+].
What is the InChIKey of sodium 2-hydroxypropyl (4-methoxyphenyl) phosphate?
The InChIKey is ZYOMJWUBCAHNPP-UHFFFAOYSA-M. The full InChI is InChI=1S/C10H15O6P.Na/c1-8(11)7-15-17(12,13)16-10-5-3-9(14-2)4-6-10;/h3-6,8,11H,7H2,1-2H3,(H,12,13);/q;+1/p-1.
What are the key properties of sodium 2-hydroxypropyl (4-methoxyphenyl) phosphate?
sodium 2-hydroxypropyl (4-methoxyphenyl) phosphate has a molecular weight of 284.18 g/mol, XLogP of -2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-hydroxypropyl (4-methoxyphenyl) phosphate is sourced from PubChem (CID 101457626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).