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

C12H17O2P — CID 141326845

IUPAC1-phosphorosooxy-2,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(OP=O)c1C(C)C
InChIInChI=1S/C12H17O2P/c1-8(2)10-6-5-7-11(14-15-13)12(10)9(3)4/h5-9H,1-4H3
InChIKeySWWNHOYAKXWKAN-UHFFFAOYSA-N
MW224.24 g/mol
LogP4.52
Rot. Bonds4

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

1-phosphorosooxy-2,3-di(propan-2-yl)benzene (PubChem CID 141326845) has the molecular formula C12H17O2P and a molecular weight of 224.24 g/mol. Its IUPAC name is 1-phosphorosooxy-2,3-di(propan-2-yl)benzene.

Molecular Properties

Compound Name1-phosphorosooxy-2,3-di(propan-2-yl)benzene
PubChem CID141326845
Molecular FormulaC12H17O2P
Molecular Weight224.24 g/mol
Exact Mass224.10
IUPAC Name1-phosphorosooxy-2,3-di(propan-2-yl)benzene
SMILESCC(C)c1cccc(OP=O)c1C(C)C
InChIInChI=1S/C12H17O2P/c1-8(2)10-6-5-7-11(14-15-13)12(10)9(3)4/h5-9H,1-4H3
InChIKeySWWNHOYAKXWKAN-UHFFFAOYSA-N
XLogP4.52
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.24
LogP ≤ 54.52
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

1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene
CID 141059308
chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid
CID 151663674
1-[[2,3-di(propan-2-yl)phenoxy]-phenylphosphoryl]oxy-2,3-di(propan-2-yl)benzene
CID 118862449
sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene
CID 22723821
1-hydroperoxy-2,3-di(propan-2-yl)benzene;1-hydroperoxy-4-propan-2-ylbenzene
CID 87880961
1-[4-[4-[2,3-di(propan-2-yl)phenyl]phenyl]phenyl]-2,3-di(propan-2-yl)benzene
CID 91401527
1-[ethoxy(methoxy)methoxy]-2,3-di(propan-2-yl)benzene
CID 173367858
3-[2-[2,3-di(propan-2-yl)phenoxy]phenyl]propanoic acid
CID 57261152
1,2-di(propan-2-yl)-3-(2-propan-2-ylphenyl)benzene;gold(1+);chloride
CID 90072599
bis[2,3-di(propan-2-yl)phenyl] 7,7-dimethylbicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
CID 142748011
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
CID 117349063
1-tert-butylperoxy-2,3-di(propan-2-yl)benzene;2-tert-butylperoxy-2-methylpropane;2-(2-phenylpropan-2-ylperoxy)propan-2-ylbenzene
CID 174849588

Frequently Asked Questions

What is the IUPAC name of 1-phosphorosooxy-2,3-di(propan-2-yl)benzene?
The IUPAC name of 1-phosphorosooxy-2,3-di(propan-2-yl)benzene (CID 141326845) is 1-phosphorosooxy-2,3-di(propan-2-yl)benzene.
What is the SMILES notation for 1-phosphorosooxy-2,3-di(propan-2-yl)benzene?
The canonical SMILES for 1-phosphorosooxy-2,3-di(propan-2-yl)benzene is CC(C)c1cccc(OP=O)c1C(C)C.
What is the InChIKey of 1-phosphorosooxy-2,3-di(propan-2-yl)benzene?
The InChIKey is SWWNHOYAKXWKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17O2P/c1-8(2)10-6-5-7-11(14-15-13)12(10)9(3)4/h5-9H,1-4H3.
What are the key properties of 1-phosphorosooxy-2,3-di(propan-2-yl)benzene?
1-phosphorosooxy-2,3-di(propan-2-yl)benzene has a molecular weight of 224.24 g/mol, XLogP of 4.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phosphorosooxy-2,3-di(propan-2-yl)benzene is sourced from PubChem (CID 141326845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).