chloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane

C19H22ClOP — CID 129147273

IUPACchloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane
SMILESCc1ccc(P(Cl)c2ccc(C)cc2C2CCCO2)c(C)c1
InChIInChI=1S/C19H22ClOP/c1-13-6-8-18(15(3)11-13)22(20)19-9-7-14(2)12-16(19)17-5-4-10-21-17/h6-9,11-12,17H,4-5,10H2,1-3H3
InChIKeySUWJAKRGZLOLKS-UHFFFAOYSA-N
MW332.81 g/mol
LogP5.05
Rot. Bonds3

About chloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane

chloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane (PubChem CID 129147273) has the molecular formula C19H22ClOP and a molecular weight of 332.81 g/mol. Its IUPAC name is chloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane.

Molecular Properties

Compound Namechloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane
PubChem CID129147273
Molecular FormulaC19H22ClOP
Molecular Weight332.81 g/mol
Exact Mass332.11
IUPAC Namechloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane
SMILESCc1ccc(P(Cl)c2ccc(C)cc2C2CCCO2)c(C)c1
InChIInChI=1S/C19H22ClOP/c1-13-6-8-18(15(3)11-13)22(20)19-9-7-14(2)12-16(19)17-5-4-10-21-17/h6-9,11-12,17H,4-5,10H2,1-3H3
InChIKeySUWJAKRGZLOLKS-UHFFFAOYSA-N
XLogP5.05
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.81
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane?
The IUPAC name of chloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane (CID 129147273) is chloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane.
What is the SMILES notation for chloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane?
The canonical SMILES for chloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane is Cc1ccc(P(Cl)c2ccc(C)cc2C2CCCO2)c(C)c1.
What is the InChIKey of chloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane?
The InChIKey is SUWJAKRGZLOLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClOP/c1-13-6-8-18(15(3)11-13)22(20)19-9-7-14(2)12-16(19)17-5-4-10-21-17/h6-9,11-12,17H,4-5,10H2,1-3H3.
What are the key properties of chloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane?
chloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane has a molecular weight of 332.81 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(2,4-dimethylphenyl)-[4-methyl-2-(oxolan-2-yl)phenyl]phosphane is sourced from PubChem (CID 129147273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).