bis(1-chloropropan-2-yloxy)phosphorylbenzene

C12H17Cl2O3P — CID 141448339

IUPACbis(1-chloropropan-2-yloxy)phosphorylbenzene
SMILESCC(CCl)OP(=O)(OC(C)CCl)c1ccccc1
InChIInChI=1S/C12H17Cl2O3P/c1-10(8-13)16-18(15,17-11(2)9-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyHEWDANMTVMGWOT-UHFFFAOYSA-N
MW311.14 g/mol
LogP3.79
Rot. Bonds7

About bis(1-chloropropan-2-yloxy)phosphorylbenzene

bis(1-chloropropan-2-yloxy)phosphorylbenzene (PubChem CID 141448339) has the molecular formula C12H17Cl2O3P and a molecular weight of 311.14 g/mol. Its IUPAC name is bis(1-chloropropan-2-yloxy)phosphorylbenzene.

Molecular Properties

Compound Namebis(1-chloropropan-2-yloxy)phosphorylbenzene
PubChem CID141448339
Molecular FormulaC12H17Cl2O3P
Molecular Weight311.14 g/mol
Exact Mass310.03
IUPAC Namebis(1-chloropropan-2-yloxy)phosphorylbenzene
SMILESCC(CCl)OP(=O)(OC(C)CCl)c1ccccc1
InChIInChI=1S/C12H17Cl2O3P/c1-10(8-13)16-18(15,17-11(2)9-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3
InChIKeyHEWDANMTVMGWOT-UHFFFAOYSA-N
XLogP3.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[chloromethyl(methoxy)phosphoryl]benzene
CID 59938019
[butan-2-yl(butan-2-yloxy)phosphoryl]benzene
CID 141334363
dipropoxyphosphorylbenzene
CID 11736632
[2-methyl-1-[phenyl(prop-2-ynoxy)phosphoryl]oxypropyl]benzene
CID 54271236
2-methylpropyl(phenyl)phosphinic acid
CID 793404
[ethoxy-[ethoxy(phenyl)phosphoryl]oxyphosphoryl]benzene
CID 23415634
[propan-2-yl(propan-2-yloxy)phosphoryl]benzene
CID 21317872
O-[aminooxy(phenyl)phosphoryl]hydroxylamine
CID 70403150
bis(1,3-dichloropropan-2-yloxy)-phenyl-sulfanylidene-λ5-phosphane
CID 141440173
[3,3-dimethylbutan-2-yloxy(phenyl)phosphoryl]benzene
CID 12869475
[tert-butyl(propan-2-yloxy)phosphoryl]benzene
CID 57270314
[ethoxy(phenyl)phosphoryl]oxybenzene
CID 12735424

Frequently Asked Questions

What is the IUPAC name of bis(1-chloropropan-2-yloxy)phosphorylbenzene?
The IUPAC name of bis(1-chloropropan-2-yloxy)phosphorylbenzene (CID 141448339) is bis(1-chloropropan-2-yloxy)phosphorylbenzene.
What is the SMILES notation for bis(1-chloropropan-2-yloxy)phosphorylbenzene?
The canonical SMILES for bis(1-chloropropan-2-yloxy)phosphorylbenzene is CC(CCl)OP(=O)(OC(C)CCl)c1ccccc1.
What is the InChIKey of bis(1-chloropropan-2-yloxy)phosphorylbenzene?
The InChIKey is HEWDANMTVMGWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17Cl2O3P/c1-10(8-13)16-18(15,17-11(2)9-14)12-6-4-3-5-7-12/h3-7,10-11H,8-9H2,1-2H3.
What are the key properties of bis(1-chloropropan-2-yloxy)phosphorylbenzene?
bis(1-chloropropan-2-yloxy)phosphorylbenzene has a molecular weight of 311.14 g/mol, XLogP of 3.79, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-chloropropan-2-yloxy)phosphorylbenzene is sourced from PubChem (CID 141448339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).