methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate

C11H17O4P — CID 174605575

IUPACmethyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate
SMILESCOP(=O)(O)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C11H17O4P/c1-8(2)10-6-5-9(3)7-11(10)15-16(12,13)14-4/h5-8H,1-4H3,(H,12,13)
InChIKeyWYRYMFGTBHRCGK-UHFFFAOYSA-N
MW244.23 g/mol
LogP3.24
Rot. Bonds4

About methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate

methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate (PubChem CID 174605575) has the molecular formula C11H17O4P and a molecular weight of 244.23 g/mol. Its IUPAC name is methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate.

Molecular Properties

Compound Namemethyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate
PubChem CID174605575
Molecular FormulaC11H17O4P
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Namemethyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate
SMILESCOP(=O)(O)Oc1cc(C)ccc1C(C)C
InChIInChI=1S/C11H17O4P/c1-8(2)10-6-5-9(3)7-11(10)15-16(12,13)14-4/h5-8H,1-4H3,(H,12,13)
InChIKeyWYRYMFGTBHRCGK-UHFFFAOYSA-N
XLogP3.24
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-methyl-2-methylperoxy-1-propan-2-ylbenzene
CID 135233977
5-methyl-2-propan-2-ylphenol;phosphoric acid
CID 67743419
2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 681895
methyl 2-methyl-3-(5-methyl-2-propan-2-ylphenoxy)propanoate
CID 43537579
(2S)-2-[[methoxymethyl-(5-methyl-2-propan-2-ylphenoxy)phosphoryl]amino]-2,3-dimethylbutanoic acid
CID 130300922
(5-methyl-2-propan-2-ylphenyl) 4-methoxybutanoate
CID 78894828
2,4-dimethyl-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 7600117
2-(5-methyl-2-propan-2-ylphenoxy)-N-(2-methylpropyl)acetamide
CID 18823962
propan-2-yl 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 54941393
2-(5-methyl-2-propan-2-ylphenoxy)propanamide
CID 47095241
3,4-dimethoxy-N'-[2-(5-methyl-2-propan-2-ylphenoxy)acetyl]benzohydrazide
CID 4923561
(3,5-dimethoxyphenyl) 2-(5-methyl-2-propan-2-ylphenoxy)acetate
CID 8758790

Frequently Asked Questions

What is the IUPAC name of methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate?
The IUPAC name of methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate (CID 174605575) is methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate.
What is the SMILES notation for methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate?
The canonical SMILES for methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate is COP(=O)(O)Oc1cc(C)ccc1C(C)C.
What is the InChIKey of methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate?
The InChIKey is WYRYMFGTBHRCGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O4P/c1-8(2)10-6-5-9(3)7-11(10)15-16(12,13)14-4/h5-8H,1-4H3,(H,12,13).
What are the key properties of methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate?
methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate has a molecular weight of 244.23 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5-methyl-2-propan-2-ylphenyl) hydrogen phosphate is sourced from PubChem (CID 174605575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).