2-(4-methylphenyl)ethylidynephosphane

C9H9P — CID 143828458

IUPAC2-(4-methylphenyl)ethylidynephosphane
SMILESCc1ccc(CC#P)cc1
InChIInChI=1S/C9H9P/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3
InChIKeyNRRSBKOSXNCJBL-UHFFFAOYSA-N
MW148.14 g/mol
LogP2.91
Rot. Bonds1

About 2-(4-methylphenyl)ethylidynephosphane

2-(4-methylphenyl)ethylidynephosphane (PubChem CID 143828458) has the molecular formula C9H9P and a molecular weight of 148.14 g/mol. Its IUPAC name is 2-(4-methylphenyl)ethylidynephosphane.

Molecular Properties

Compound Name2-(4-methylphenyl)ethylidynephosphane
PubChem CID143828458
Molecular FormulaC9H9P
Molecular Weight148.14 g/mol
Exact Mass148.04
IUPAC Name2-(4-methylphenyl)ethylidynephosphane
SMILESCc1ccc(CC#P)cc1
InChIInChI=1S/C9H9P/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3
InChIKeyNRRSBKOSXNCJBL-UHFFFAOYSA-N
XLogP2.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.14
LogP ≤ 52.91
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 2-(4-methylphenyl)ethylidynephosphane?
The IUPAC name of 2-(4-methylphenyl)ethylidynephosphane (CID 143828458) is 2-(4-methylphenyl)ethylidynephosphane.
What is the SMILES notation for 2-(4-methylphenyl)ethylidynephosphane?
The canonical SMILES for 2-(4-methylphenyl)ethylidynephosphane is Cc1ccc(CC#P)cc1.
What is the InChIKey of 2-(4-methylphenyl)ethylidynephosphane?
The InChIKey is NRRSBKOSXNCJBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9P/c1-8-2-4-9(5-3-8)6-7-10/h2-5H,6H2,1H3.
What are the key properties of 2-(4-methylphenyl)ethylidynephosphane?
2-(4-methylphenyl)ethylidynephosphane has a molecular weight of 148.14 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)ethylidynephosphane is sourced from PubChem (CID 143828458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).