molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid

C9H17O3P — CID 170613639

IUPACmolecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid
SMILESCC(C)c1ccc(P(=O)(O)O)cc1.[H][H].[H][H]
InChIInChI=1S/C9H13O3P.2H2/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;;/h3-7H,1-2H3,(H2,10,11,12);2*1H
InChIKeyZPQKUIXEHMRGBS-UHFFFAOYSA-N
MW204.21 g/mol
LogP2.11
Rot. Bonds2

About molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid

molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid (PubChem CID 170613639) has the molecular formula C9H17O3P and a molecular weight of 204.21 g/mol. Its IUPAC name is molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid.

Molecular Properties

Compound Namemolecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid
PubChem CID170613639
Molecular FormulaC9H17O3P
Molecular Weight204.21 g/mol
Exact Mass204.09
IUPAC Namemolecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid
SMILESCC(C)c1ccc(P(=O)(O)O)cc1.[H][H].[H][H]
InChIInChI=1S/C9H13O3P.2H2/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;;/h3-7H,1-2H3,(H2,10,11,12);2*1H
InChIKeyZPQKUIXEHMRGBS-UHFFFAOYSA-N
XLogP2.11
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-di(propan-2-yl)benzene;phosphoric acid
CID 174794178
1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene
CID 54050857
1-dimethoxyphosphoryl-4-propan-2-ylbenzene
CID 102363229
1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene
CID 20772007
[4-(2,2,5,5-tetramethylhexan-3-yl)phenyl]phosphonic acid
CID 71033304
sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate
CID 174297750
(3S)-3-hydroxy-3-(4-propan-2-ylphenyl)propanoic acid
CID 94425342
dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane
CID 141230622
[2-methyl-1,1-bis(4-propan-2-ylphenyl)propan-2-yl] dihydrogen phosphate
CID 162514629
2-(4-propan-2-ylphenoxy)acetohydrazide
CID 968935
magnesium;hydride;phosphono bis(4-propan-2-ylphenyl) phosphate
CID 173440052
methane;4-propan-2-ylphenol
CID 159328733

Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid?
The IUPAC name of molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid (CID 170613639) is molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid.
What is the SMILES notation for molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid?
The canonical SMILES for molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid is CC(C)c1ccc(P(=O)(O)O)cc1.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid?
The InChIKey is ZPQKUIXEHMRGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13O3P.2H2/c1-7(2)8-3-5-9(6-4-8)13(10,11)12;;/h3-7H,1-2H3,(H2,10,11,12);2*1H.
What are the key properties of molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid?
molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid has a molecular weight of 204.21 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid is sourced from PubChem (CID 170613639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).