[2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane

C12H11Cl2N2OP — CID 144987523

IUPAC[2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane
SMILESCP(C)c1ccccc1Oc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H11Cl2N2OP/c1-18(2)10-6-4-3-5-9(10)17-11-8(13)7-15-12(14)16-11/h3-7H,1-2H3
InChIKeyKNQKBXTXJFZBJV-UHFFFAOYSA-N
MW301.11 g/mol
LogP3.94
Rot. Bonds3

About [2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane

[2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane (PubChem CID 144987523) has the molecular formula C12H11Cl2N2OP and a molecular weight of 301.11 g/mol. Its IUPAC name is [2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane.

Molecular Properties

Compound Name[2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane
PubChem CID144987523
Molecular FormulaC12H11Cl2N2OP
Molecular Weight301.11 g/mol
Exact Mass300.00
IUPAC Name[2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane
SMILESCP(C)c1ccccc1Oc1nc(Cl)ncc1Cl
InChIInChI=1S/C12H11Cl2N2OP/c1-18(2)10-6-4-3-5-9(10)17-11-8(13)7-15-12(14)16-11/h3-7H,1-2H3
InChIKeyKNQKBXTXJFZBJV-UHFFFAOYSA-N
XLogP3.94
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.11
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,5-dichloro-4-(4-chloronaphthalen-1-yl)oxypyrimidine
CID 79633476
2-(2,5-dichloropyrimidin-4-yl)oxy-N-methylbenzamide
CID 118905561
8-(2,5-dichloropyrimidin-4-yl)oxy-2-methylquinoline
CID 79632871
2,5-dichloro-4-(4-methoxyphenoxy)pyrimidine
CID 58247423
2,5-dichloro-4-pyridin-3-yloxypyrimidine
CID 79632979
4-(2-bromo-3-nitrophenoxy)-2,5-dichloropyrimidine
CID 113497815
5-chloro-4-(2-methylphenoxy)pyrimidin-2-amine
CID 80869691
2,5-dichloro-4-(4-propoxyphenoxy)pyrimidine
CID 79632151
2-chloro-4-(3-chloro-2-fluorophenoxy)-5-methylpyrimidine
CID 116689002
2,5-dichloro-4-(4-propylphenoxy)pyrimidine
CID 79632471
5-chloro-4-(2-phenylphenoxy)pyrimidin-2-amine
CID 80866706
dimethyl-(2-trimethylsilyloxyphenyl)phosphane
CID 13076538

Frequently Asked Questions

What is the IUPAC name of [2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane?
The IUPAC name of [2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane (CID 144987523) is [2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane.
What is the SMILES notation for [2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane?
The canonical SMILES for [2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane is CP(C)c1ccccc1Oc1nc(Cl)ncc1Cl.
What is the InChIKey of [2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane?
The InChIKey is KNQKBXTXJFZBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N2OP/c1-18(2)10-6-4-3-5-9(10)17-11-8(13)7-15-12(14)16-11/h3-7H,1-2H3.
What are the key properties of [2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane?
[2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane has a molecular weight of 301.11 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,5-dichloropyrimidin-4-yl)oxyphenyl]-dimethylphosphane is sourced from PubChem (CID 144987523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).