chloro-bis(3,5-dimethylphenyl)phosphane

C16H18ClP — CID 4187520

IUPACchloro-bis(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(Cl)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C16H18ClP/c1-11-5-12(2)8-15(7-11)18(17)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3
InChIKeyFCEBDAANWYNQMO-UHFFFAOYSA-N
MW276.75 g/mol
LogP4.51
Rot. Bonds2

About chloro-bis(3,5-dimethylphenyl)phosphane

chloro-bis(3,5-dimethylphenyl)phosphane (PubChem CID 4187520) has the molecular formula C16H18ClP and a molecular weight of 276.75 g/mol. Its IUPAC name is chloro-bis(3,5-dimethylphenyl)phosphane.

Molecular Properties

Compound Namechloro-bis(3,5-dimethylphenyl)phosphane
PubChem CID4187520
Molecular FormulaC16H18ClP
Molecular Weight276.75 g/mol
Exact Mass276.08
IUPAC Namechloro-bis(3,5-dimethylphenyl)phosphane
SMILESCc1cc(C)cc(P(Cl)c2cc(C)cc(C)c2)c1
InChIInChI=1S/C16H18ClP/c1-11-5-12(2)8-15(7-11)18(17)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3
InChIKeyFCEBDAANWYNQMO-UHFFFAOYSA-N
XLogP4.51
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.75
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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-bis(3,5-dimethylphenyl)phosphane?
The IUPAC name of chloro-bis(3,5-dimethylphenyl)phosphane (CID 4187520) is chloro-bis(3,5-dimethylphenyl)phosphane.
What is the SMILES notation for chloro-bis(3,5-dimethylphenyl)phosphane?
The canonical SMILES for chloro-bis(3,5-dimethylphenyl)phosphane is Cc1cc(C)cc(P(Cl)c2cc(C)cc(C)c2)c1.
What is the InChIKey of chloro-bis(3,5-dimethylphenyl)phosphane?
The InChIKey is FCEBDAANWYNQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClP/c1-11-5-12(2)8-15(7-11)18(17)16-9-13(3)6-14(4)10-16/h5-10H,1-4H3.
What are the key properties of chloro-bis(3,5-dimethylphenyl)phosphane?
chloro-bis(3,5-dimethylphenyl)phosphane has a molecular weight of 276.75 g/mol, XLogP of 4.51, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-bis(3,5-dimethylphenyl)phosphane is sourced from PubChem (CID 4187520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).