chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid

C12H18ClO3P — CID 151663674

IUPACchloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid
SMILESCC(C)c1cccc(OP(=O)(O)Cl)c1C(C)C
InChIInChI=1S/C12H18ClO3P/c1-8(2)10-6-5-7-11(12(10)9(3)4)16-17(13,14)15/h5-9H,1-4H3,(H,14,15)
InChIKeyQXBLXGYAGZNSAI-UHFFFAOYSA-N
MW276.70 g/mol
LogP4.65
Rot. Bonds4

About chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid

chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid (PubChem CID 151663674) has the molecular formula C12H18ClO3P and a molecular weight of 276.70 g/mol. Its IUPAC name is chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid.

Molecular Properties

Compound Namechloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid
PubChem CID151663674
Molecular FormulaC12H18ClO3P
Molecular Weight276.70 g/mol
Exact Mass276.07
IUPAC Namechloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid
SMILESCC(C)c1cccc(OP(=O)(O)Cl)c1C(C)C
InChIInChI=1S/C12H18ClO3P/c1-8(2)10-6-5-7-11(12(10)9(3)4)16-17(13,14)15/h5-9H,1-4H3,(H,14,15)
InChIKeyQXBLXGYAGZNSAI-UHFFFAOYSA-N
XLogP4.65
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.70
LogP ≤ 54.65
H-Bond Donors ≤ 51
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)phenoxy]-phenylphosphoryl]oxy-2,3-di(propan-2-yl)benzene
CID 118862449
chloro-(2-methoxyphenoxy)phosphinic acid
CID 88749959
1-[2,3-di(propan-2-yl)phenyl]peroxyperoxy-2,3-di(propan-2-yl)benzene
CID 141059308
1-phosphorosooxy-2,3-di(propan-2-yl)benzene
CID 141326845
2-dichlorophosphoryloxy-1,3-di(propan-2-yl)benzene
CID 14943982
sulfuryl dichloride;1,2,3-tri(propan-2-yl)benzene
CID 22723821
[2,3-di(pentan-2-yl)phenyl] dihydrogen phosphate
CID 22497485
1-hydroperoxy-2,3-di(propan-2-yl)benzene;1-hydroperoxy-4-propan-2-ylbenzene
CID 87880961
methyl 2-hydroxy-2-(3-methoxy-2-propan-2-ylphenyl)acetate
CID 117349063
3-[2-[2,3-di(propan-2-yl)phenoxy]phenyl]propanoic acid
CID 57261152
[3-hydroxy-2-[1-(4-hydroxyphenyl)ethyl]phenyl] dihydrogen phosphate
CID 70148143
(2-propan-2-ylphenoxy)methyl dihydrogen phosphate
CID 141133004

Frequently Asked Questions

What is the IUPAC name of chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid?
The IUPAC name of chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid (CID 151663674) is chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid.
What is the SMILES notation for chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid?
The canonical SMILES for chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid is CC(C)c1cccc(OP(=O)(O)Cl)c1C(C)C.
What is the InChIKey of chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid?
The InChIKey is QXBLXGYAGZNSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClO3P/c1-8(2)10-6-5-7-11(12(10)9(3)4)16-17(13,14)15/h5-9H,1-4H3,(H,14,15).
What are the key properties of chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid?
chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid has a molecular weight of 276.70 g/mol, XLogP of 4.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[2,3-di(propan-2-yl)phenoxy]phosphinic acid is sourced from PubChem (CID 151663674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).