1-dimethoxyphosphoryl-4-propan-2-ylbenzene

C11H17O3P — CID 102363229

IUPAC1-dimethoxyphosphoryl-4-propan-2-ylbenzene
SMILESCOP(=O)(OC)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H17O3P/c1-9(2)10-5-7-11(8-6-10)15(12,13-3)14-4/h5-9H,1-4H3
InChIKeyQUEIWSUCHKDHCQ-UHFFFAOYSA-N
MW228.23 g/mol
LogP2.92
Rot. Bonds4

About 1-dimethoxyphosphoryl-4-propan-2-ylbenzene

1-dimethoxyphosphoryl-4-propan-2-ylbenzene (PubChem CID 102363229) has the molecular formula C11H17O3P and a molecular weight of 228.23 g/mol. Its IUPAC name is 1-dimethoxyphosphoryl-4-propan-2-ylbenzene.

Molecular Properties

Compound Name1-dimethoxyphosphoryl-4-propan-2-ylbenzene
PubChem CID102363229
Molecular FormulaC11H17O3P
Molecular Weight228.23 g/mol
Exact Mass228.09
IUPAC Name1-dimethoxyphosphoryl-4-propan-2-ylbenzene
SMILESCOP(=O)(OC)c1ccc(C(C)C)cc1
InChIInChI=1S/C11H17O3P/c1-9(2)10-5-7-11(8-6-10)15(12,13-3)14-4/h5-9H,1-4H3
InChIKeyQUEIWSUCHKDHCQ-UHFFFAOYSA-N
XLogP2.92
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.23
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-bis(4-propan-2-ylphenyl)phosphoryl-4-propan-2-ylbenzene
CID 54050857
1,4-di(propan-2-yl)benzene;phosphoric acid
CID 174794178
molecular hydrogen;(4-propan-2-ylphenyl)phosphonic acid
CID 170613639
1-[ethyl(methyl)phosphoryl]-4-propan-2-ylbenzene
CID 20772007
dichloro-(4-propan-2-ylphenyl)-sulfanylidene-λ5-phosphane
CID 141230622
sodium;hydride;(4-propan-2-ylphenyl) dihydrogen phosphate
CID 174297750
1-methyl-4-propan-2-ylbenzene;ruthenium;dihydroiodide
CID 175953909
carbanide;1-methoxy-4-propan-2-ylbenzene;yttrium
CID 157263215
7-dimethoxyphosphorylnaphthalene-2-carboxylic acid
CID 169170701
1-methoxy-1-(4-propan-2-ylphenyl)propan-2-one
CID 83224446
1-[(1S)-1-bromoethyl]-4-propan-2-ylbenzene
CID 94675608
tris[[methyl-(4-propan-2-ylphenoxy)phosphoryl]oxy]alumane
CID 141386730

Frequently Asked Questions

What is the IUPAC name of 1-dimethoxyphosphoryl-4-propan-2-ylbenzene?
The IUPAC name of 1-dimethoxyphosphoryl-4-propan-2-ylbenzene (CID 102363229) is 1-dimethoxyphosphoryl-4-propan-2-ylbenzene.
What is the SMILES notation for 1-dimethoxyphosphoryl-4-propan-2-ylbenzene?
The canonical SMILES for 1-dimethoxyphosphoryl-4-propan-2-ylbenzene is COP(=O)(OC)c1ccc(C(C)C)cc1.
What is the InChIKey of 1-dimethoxyphosphoryl-4-propan-2-ylbenzene?
The InChIKey is QUEIWSUCHKDHCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O3P/c1-9(2)10-5-7-11(8-6-10)15(12,13-3)14-4/h5-9H,1-4H3.
What are the key properties of 1-dimethoxyphosphoryl-4-propan-2-ylbenzene?
1-dimethoxyphosphoryl-4-propan-2-ylbenzene has a molecular weight of 228.23 g/mol, XLogP of 2.92, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-dimethoxyphosphoryl-4-propan-2-ylbenzene is sourced from PubChem (CID 102363229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).