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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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).