3-[4-(3-methylphenyl)phenyl]propylphosphane

C16H19P — CID 143253756

IUPAC3-[4-(3-methylphenyl)phenyl]propylphosphane
SMILESCc1cccc(-c2ccc(CCCP)cc2)c1
InChIInChI=1S/C16H19P/c1-13-4-2-6-16(12-13)15-9-7-14(8-10-15)5-3-11-17/h2,4,6-10,12H,3,5,11,17H2,1H3
InChIKeyMWUZCHQWCPCAHE-UHFFFAOYSA-N
MW242.30 g/mol
LogP4.47
Rot. Bonds4

About 3-[4-(3-methylphenyl)phenyl]propylphosphane

3-[4-(3-methylphenyl)phenyl]propylphosphane (PubChem CID 143253756) has the molecular formula C16H19P and a molecular weight of 242.30 g/mol. Its IUPAC name is 3-[4-(3-methylphenyl)phenyl]propylphosphane.

Molecular Properties

Compound Name3-[4-(3-methylphenyl)phenyl]propylphosphane
PubChem CID143253756
Molecular FormulaC16H19P
Molecular Weight242.30 g/mol
Exact Mass242.12
IUPAC Name3-[4-(3-methylphenyl)phenyl]propylphosphane
SMILESCc1cccc(-c2ccc(CCCP)cc2)c1
InChIInChI=1S/C16H19P/c1-13-4-2-6-16(12-13)15-9-7-14(8-10-15)5-3-11-17/h2,4,6-10,12H,3,5,11,17H2,1H3
InChIKeyMWUZCHQWCPCAHE-UHFFFAOYSA-N
XLogP4.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 54.47
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 3-[4-(3-methylphenyl)phenyl]propylphosphane?
The IUPAC name of 3-[4-(3-methylphenyl)phenyl]propylphosphane (CID 143253756) is 3-[4-(3-methylphenyl)phenyl]propylphosphane.
What is the SMILES notation for 3-[4-(3-methylphenyl)phenyl]propylphosphane?
The canonical SMILES for 3-[4-(3-methylphenyl)phenyl]propylphosphane is Cc1cccc(-c2ccc(CCCP)cc2)c1.
What is the InChIKey of 3-[4-(3-methylphenyl)phenyl]propylphosphane?
The InChIKey is MWUZCHQWCPCAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19P/c1-13-4-2-6-16(12-13)15-9-7-14(8-10-15)5-3-11-17/h2,4,6-10,12H,3,5,11,17H2,1H3.
What are the key properties of 3-[4-(3-methylphenyl)phenyl]propylphosphane?
3-[4-(3-methylphenyl)phenyl]propylphosphane has a molecular weight of 242.30 g/mol, XLogP of 4.47, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-methylphenyl)phenyl]propylphosphane is sourced from PubChem (CID 143253756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).