(3,5-dimethylphenyl)-methylphosphane;hydrochloride

C9H14ClP — CID 175052086

IUPAC(3,5-dimethylphenyl)-methylphosphane;hydrochloride
SMILESCPc1cc(C)cc(C)c1.Cl
InChIInChI=1S/C9H13P.ClH/c1-7-4-8(2)6-9(5-7)10-3;/h4-6,10H,1-3H3;1H
InChIKeySMCSGDLRVGAHBC-UHFFFAOYSA-N
MW188.64 g/mol
LogP2.66
Rot. Bonds1

About (3,5-dimethylphenyl)-methylphosphane;hydrochloride

(3,5-dimethylphenyl)-methylphosphane;hydrochloride (PubChem CID 175052086) has the molecular formula C9H14ClP and a molecular weight of 188.64 g/mol. Its IUPAC name is (3,5-dimethylphenyl)-methylphosphane;hydrochloride.

Molecular Properties

Compound Name(3,5-dimethylphenyl)-methylphosphane;hydrochloride
PubChem CID175052086
Molecular FormulaC9H14ClP
Molecular Weight188.64 g/mol
Exact Mass188.05
IUPAC Name(3,5-dimethylphenyl)-methylphosphane;hydrochloride
SMILESCPc1cc(C)cc(C)c1.Cl
InChIInChI=1S/C9H13P.ClH/c1-7-4-8(2)6-9(5-7)10-3;/h4-6,10H,1-3H3;1H
InChIKeySMCSGDLRVGAHBC-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.64
LogP ≤ 52.66
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 (3,5-dimethylphenyl)-methylphosphane;hydrochloride?
The IUPAC name of (3,5-dimethylphenyl)-methylphosphane;hydrochloride (CID 175052086) is (3,5-dimethylphenyl)-methylphosphane;hydrochloride.
What is the SMILES notation for (3,5-dimethylphenyl)-methylphosphane;hydrochloride?
The canonical SMILES for (3,5-dimethylphenyl)-methylphosphane;hydrochloride is CPc1cc(C)cc(C)c1.Cl.
What is the InChIKey of (3,5-dimethylphenyl)-methylphosphane;hydrochloride?
The InChIKey is SMCSGDLRVGAHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13P.ClH/c1-7-4-8(2)6-9(5-7)10-3;/h4-6,10H,1-3H3;1H.
What are the key properties of (3,5-dimethylphenyl)-methylphosphane;hydrochloride?
(3,5-dimethylphenyl)-methylphosphane;hydrochloride has a molecular weight of 188.64 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethylphenyl)-methylphosphane;hydrochloride is sourced from PubChem (CID 175052086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).