(4-methylphenyl) 2-methylpropyl hydrogen phosphate

C11H17O4P — CID 175181889

IUPAC(4-methylphenyl) 2-methylpropyl hydrogen phosphate
SMILESCc1ccc(OP(=O)(O)OCC(C)C)cc1
InChIInChI=1S/C11H17O4P/c1-9(2)8-14-16(12,13)15-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H,12,13)
InChIKeyMGWNGURELUMZAC-UHFFFAOYSA-N
MW244.23 g/mol
LogP3.15
Rot. Bonds5

About (4-methylphenyl) 2-methylpropyl hydrogen phosphate

(4-methylphenyl) 2-methylpropyl hydrogen phosphate (PubChem CID 175181889) has the molecular formula C11H17O4P and a molecular weight of 244.23 g/mol. Its IUPAC name is (4-methylphenyl) 2-methylpropyl hydrogen phosphate.

Molecular Properties

Compound Name(4-methylphenyl) 2-methylpropyl hydrogen phosphate
PubChem CID175181889
Molecular FormulaC11H17O4P
Molecular Weight244.23 g/mol
Exact Mass244.09
IUPAC Name(4-methylphenyl) 2-methylpropyl hydrogen phosphate
SMILESCc1ccc(OP(=O)(O)OCC(C)C)cc1
InChIInChI=1S/C11H17O4P/c1-9(2)8-14-16(12,13)15-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H,12,13)
InChIKeyMGWNGURELUMZAC-UHFFFAOYSA-N
XLogP3.15
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 53.15
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

bis(4-methylphenyl) 2-methylpropyl phosphate
CID 172710371
3-[hydroxy-(4-methylphenoxy)phosphoryl]oxypropanoic acid
CID 175308769
(4-propan-2-ylphenyl) propyl hydrogen phosphate
CID 175182097
[4-[2-[4-[hydroxy-(4-methylphenoxy)phosphoryl]oxyphenyl]propan-2-yl]phenyl] (4-methylphenyl) hydrogen phosphate
CID 23106977
4-[hydroxy-(4-methylphenoxy)phosphoryl]oxybenzoic acid
CID 71331221
[4-[4-[hydroxy(2-methylpropoxy)phosphoryl]phenoxy]phenyl]-(2-methylpropoxy)phosphinic acid
CID 118859901
[hydroxy(phenoxy)phosphoryl] bis(4-methylphenyl) phosphate
CID 87480708
bromosilver;tris(4-methylphenyl) phosphate
CID 160750734
guanidine;tris(4-methylphenyl) phosphate
CID 174666198
1-[bis(2-methylpropoxy)phosphorylsulfanylmethyl]-4-methylbenzene
CID 138982768
alumane;tris(4-methylphenyl) phosphate
CID 174515145
CID 67928069
CID 67928069

Frequently Asked Questions

What is the IUPAC name of (4-methylphenyl) 2-methylpropyl hydrogen phosphate?
The IUPAC name of (4-methylphenyl) 2-methylpropyl hydrogen phosphate (CID 175181889) is (4-methylphenyl) 2-methylpropyl hydrogen phosphate.
What is the SMILES notation for (4-methylphenyl) 2-methylpropyl hydrogen phosphate?
The canonical SMILES for (4-methylphenyl) 2-methylpropyl hydrogen phosphate is Cc1ccc(OP(=O)(O)OCC(C)C)cc1.
What is the InChIKey of (4-methylphenyl) 2-methylpropyl hydrogen phosphate?
The InChIKey is MGWNGURELUMZAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O4P/c1-9(2)8-14-16(12,13)15-11-6-4-10(3)5-7-11/h4-7,9H,8H2,1-3H3,(H,12,13).
What are the key properties of (4-methylphenyl) 2-methylpropyl hydrogen phosphate?
(4-methylphenyl) 2-methylpropyl hydrogen phosphate has a molecular weight of 244.23 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylphenyl) 2-methylpropyl hydrogen phosphate is sourced from PubChem (CID 175181889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).