dichloro-(4-methylphenyl)phosphane

C7H7Cl2P — CID 12654651

IUPACdichloro-(4-methylphenyl)phosphane
SMILESCc1ccc(P(Cl)Cl)cc1
InChIInChI=1S/C7H7Cl2P/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3
InChIKeySQKDMSFZWCIFEZ-UHFFFAOYSA-N
MW193.01 g/mol
LogP3.41
Rot. Bonds1

About dichloro-(4-methylphenyl)phosphane

dichloro-(4-methylphenyl)phosphane (PubChem CID 12654651) has the molecular formula C7H7Cl2P and a molecular weight of 193.01 g/mol. Its IUPAC name is dichloro-(4-methylphenyl)phosphane.

Molecular Properties

Compound Namedichloro-(4-methylphenyl)phosphane
PubChem CID12654651
Molecular FormulaC7H7Cl2P
Molecular Weight193.01 g/mol
Exact Mass191.97
IUPAC Namedichloro-(4-methylphenyl)phosphane
SMILESCc1ccc(P(Cl)Cl)cc1
InChIInChI=1S/C7H7Cl2P/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3
InChIKeySQKDMSFZWCIFEZ-UHFFFAOYSA-N
XLogP3.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.01
LogP ≤ 53.41
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 dichloro-(4-methylphenyl)phosphane?
The IUPAC name of dichloro-(4-methylphenyl)phosphane (CID 12654651) is dichloro-(4-methylphenyl)phosphane.
What is the SMILES notation for dichloro-(4-methylphenyl)phosphane?
The canonical SMILES for dichloro-(4-methylphenyl)phosphane is Cc1ccc(P(Cl)Cl)cc1.
What is the InChIKey of dichloro-(4-methylphenyl)phosphane?
The InChIKey is SQKDMSFZWCIFEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7Cl2P/c1-6-2-4-7(5-3-6)10(8)9/h2-5H,1H3.
What are the key properties of dichloro-(4-methylphenyl)phosphane?
dichloro-(4-methylphenyl)phosphane has a molecular weight of 193.01 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for dichloro-(4-methylphenyl)phosphane is sourced from PubChem (CID 12654651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).