2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene

C12H17Cl2O2P — CID 14943982

IUPAC2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1OP(=O)(Cl)Cl
InChIInChI=1S/C12H17Cl2O2P/c1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15/h5-9H,1-4H3
InChIKeyHZKNZDIPZLLDOH-UHFFFAOYSA-N
MW295.15 g/mol
LogP5.90
Rot. Bonds4

About 2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene

2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene (PubChem CID 14943982) has the molecular formula C12H17Cl2O2P and a molecular weight of 295.15 g/mol. Its IUPAC name is 2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene
PubChem CID14943982
Molecular FormulaC12H17Cl2O2P
Molecular Weight295.15 g/mol
Exact Mass294.03
IUPAC Name2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(C(C)C)c1OP(=O)(Cl)Cl
InChIInChI=1S/C12H17Cl2O2P/c1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15/h5-9H,1-4H3
InChIKeyHZKNZDIPZLLDOH-UHFFFAOYSA-N
XLogP5.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.15
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

tris(bis[2,6-di(propan-2-yl)phenyl] phosphate);methanol;neodymium(3+)
CID 139062681
chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid
CID 151663674
[2,6-di(propan-2-yl)phenyl] formate
CID 54331720
bis(cobalt(2+));bis([2,6-di(propan-2-yl)phenyl] phosphate);methanol;bis(2-pyridin-2-ylpyridine)
CID 139165760
2-ethoxy-1,3-di(propan-2-yl)benzene
CID 20769463
ethyl 2-[[[2,6-di(propan-2-yl)phenoxy]-[(2-ethoxy-2-oxoethyl)amino]phosphoryl]amino]acetate
CID 118909709
methyl 2-[[[2,6-di(propan-2-yl)phenoxy]-ethoxyphosphoryl]amino]acetate
CID 164681533
bis[2,6-di(propan-2-yl)phenoxy]-methylalumane
CID 16715532
[2-[2,6-di(propan-2-yl)phenoxy]-2-hydroxyethyl] dihydrogen phosphate
CID 69301225
2-[[[2,6-di(propan-2-yl)phenoxy]-(hydroxymethyl)phosphoryl]amino]-2-methylbutanoic acid
CID 174885101
hafnium;bis(2-methyl-4-propan-2-yl-1H-inden-1-ide)
CID 140767491
[2,6-di(propan-2-yl)phenyl] N-hydroxycarbamate
CID 117064047

Frequently Asked Questions

What is the IUPAC name of 2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene?
The IUPAC name of 2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene (CID 14943982) is 2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene.
What is the SMILES notation for 2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene?
The canonical SMILES for 2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene is CC(C)c1cccc(C(C)C)c1OP(=O)(Cl)Cl.
What is the InChIKey of 2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene?
The InChIKey is HZKNZDIPZLLDOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2O2P/c1-8(2)10-6-5-7-11(9(3)4)12(10)16-17(13,14)15/h5-9H,1-4H3.
What are the key properties of 2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene?
2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene has a molecular weight of 295.15 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene is sourced from PubChem (CID 14943982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).