chloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane

C28H27Cl2OP — CID 12651437

IUPACchloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane
SMILESCOc1cc(Cl)c(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1C
InChIInChI=1S/C28H27Cl2OP/c1-21-22(2)28(31-3)19-27(29)26(21)20-32(30,23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-19H,20H2,1-3H3
InChIKeyHPJLIFLEUXDUPK-UHFFFAOYSA-N
MW481.40 g/mol
LogP7.15
Rot. Bonds6

About chloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane

chloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane (PubChem CID 12651437) has the molecular formula C28H27Cl2OP and a molecular weight of 481.40 g/mol. Its IUPAC name is chloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane.

Molecular Properties

Compound Namechloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane
PubChem CID12651437
Molecular FormulaC28H27Cl2OP
Molecular Weight481.40 g/mol
Exact Mass480.12
IUPAC Namechloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane
SMILESCOc1cc(Cl)c(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1C
InChIInChI=1S/C28H27Cl2OP/c1-21-22(2)28(31-3)19-27(29)26(21)20-32(30,23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-19H,20H2,1-3H3
InChIKeyHPJLIFLEUXDUPK-UHFFFAOYSA-N
XLogP7.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.40
LogP ≤ 57.15
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-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane?
The IUPAC name of chloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane (CID 12651437) is chloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane.
What is the SMILES notation for chloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane?
The canonical SMILES for chloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane is COc1cc(Cl)c(CP(Cl)(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)c1C.
What is the InChIKey of chloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane?
The InChIKey is HPJLIFLEUXDUPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27Cl2OP/c1-21-22(2)28(31-3)19-27(29)26(21)20-32(30,23-13-7-4-8-14-23,24-15-9-5-10-16-24)25-17-11-6-12-18-25/h4-19H,20H2,1-3H3.
What are the key properties of chloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane?
chloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane has a molecular weight of 481.40 g/mol, XLogP of 7.15, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(6-chloro-4-methoxy-2,3-dimethylphenyl)methyl]-triphenyl-λ5-phosphane is sourced from PubChem (CID 12651437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).