(2,3,4-trimethylphenyl)phosphane

C9H13P — CID 19864163

IUPAC(2,3,4-trimethylphenyl)phosphane
SMILESCc1ccc(P)c(C)c1C
InChIInChI=1S/C9H13P/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,10H2,1-3H3
InChIKeySXGOIWSOZUYRKO-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.11
Rot. Bonds

About (2,3,4-trimethylphenyl)phosphane

(2,3,4-trimethylphenyl)phosphane (PubChem CID 19864163) has the molecular formula C9H13P and a molecular weight of 152.18 g/mol. Its IUPAC name is (2,3,4-trimethylphenyl)phosphane.

Molecular Properties

Compound Name(2,3,4-trimethylphenyl)phosphane
PubChem CID19864163
Molecular FormulaC9H13P
Molecular Weight152.18 g/mol
Exact Mass152.08
IUPAC Name(2,3,4-trimethylphenyl)phosphane
SMILESCc1ccc(P)c(C)c1C
InChIInChI=1S/C9H13P/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,10H2,1-3H3
InChIKeySXGOIWSOZUYRKO-UHFFFAOYSA-N
XLogP2.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 52.11
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 (2,3,4-trimethylphenyl)phosphane?
The IUPAC name of (2,3,4-trimethylphenyl)phosphane (CID 19864163) is (2,3,4-trimethylphenyl)phosphane.
What is the SMILES notation for (2,3,4-trimethylphenyl)phosphane?
The canonical SMILES for (2,3,4-trimethylphenyl)phosphane is Cc1ccc(P)c(C)c1C.
What is the InChIKey of (2,3,4-trimethylphenyl)phosphane?
The InChIKey is SXGOIWSOZUYRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13P/c1-6-4-5-9(10)8(3)7(6)2/h4-5H,10H2,1-3H3.
What are the key properties of (2,3,4-trimethylphenyl)phosphane?
(2,3,4-trimethylphenyl)phosphane has a molecular weight of 152.18 g/mol, XLogP of 2.11, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3,4-trimethylphenyl)phosphane is sourced from PubChem (CID 19864163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).