(2,3,4-trimethylphenyl)phosphane;hydrochloride

C9H14ClP — CID 173157555

IUPAC(2,3,4-trimethylphenyl)phosphane;hydrochloride
SMILESCc1ccc(P)c(C)c1C.Cl
InChIInChI=1S/C9H13P.ClH/c1-6-4-5-9(10)8(3)7(6)2;/h4-5H,10H2,1-3H3;1H
InChIKeyGZQCSYQIWXZSCJ-UHFFFAOYSA-N
MW188.64 g/mol
LogP2.53
Rot. Bonds

About (2,3,4-trimethylphenyl)phosphane;hydrochloride

(2,3,4-trimethylphenyl)phosphane;hydrochloride (PubChem CID 173157555) has the molecular formula C9H14ClP and a molecular weight of 188.64 g/mol. Its IUPAC name is (2,3,4-trimethylphenyl)phosphane;hydrochloride.

Molecular Properties

Compound Name(2,3,4-trimethylphenyl)phosphane;hydrochloride
PubChem CID173157555
Molecular FormulaC9H14ClP
Molecular Weight188.64 g/mol
Exact Mass188.05
IUPAC Name(2,3,4-trimethylphenyl)phosphane;hydrochloride
SMILESCc1ccc(P)c(C)c1C.Cl
InChIInChI=1S/C9H13P.ClH/c1-6-4-5-9(10)8(3)7(6)2;/h4-5H,10H2,1-3H3;1H
InChIKeyGZQCSYQIWXZSCJ-UHFFFAOYSA-N
XLogP2.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.64
LogP ≤ 52.53
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;hydrochloride?
The IUPAC name of (2,3,4-trimethylphenyl)phosphane;hydrochloride (CID 173157555) is (2,3,4-trimethylphenyl)phosphane;hydrochloride.
What is the SMILES notation for (2,3,4-trimethylphenyl)phosphane;hydrochloride?
The canonical SMILES for (2,3,4-trimethylphenyl)phosphane;hydrochloride is Cc1ccc(P)c(C)c1C.Cl.
What is the InChIKey of (2,3,4-trimethylphenyl)phosphane;hydrochloride?
The InChIKey is GZQCSYQIWXZSCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13P.ClH/c1-6-4-5-9(10)8(3)7(6)2;/h4-5H,10H2,1-3H3;1H.
What are the key properties of (2,3,4-trimethylphenyl)phosphane;hydrochloride?
(2,3,4-trimethylphenyl)phosphane;hydrochloride has a molecular weight of 188.64 g/mol, XLogP of 2.53, 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;hydrochloride is sourced from PubChem (CID 173157555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).