(2,3-dimethylphenyl)-methoxyphosphane

C9H13OP — CID 69050545

IUPAC(2,3-dimethylphenyl)-methoxyphosphane
SMILESCOPc1cccc(C)c1C
InChIInChI=1S/C9H13OP/c1-7-5-4-6-9(8(7)2)11-10-3/h4-6,11H,1-3H3
InChIKeyLAMVWBNPAUTJEE-UHFFFAOYSA-N
MW168.18 g/mol
LogP2.17
Rot. Bonds2

About (2,3-dimethylphenyl)-methoxyphosphane

(2,3-dimethylphenyl)-methoxyphosphane (PubChem CID 69050545) has the molecular formula C9H13OP and a molecular weight of 168.18 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-methoxyphosphane.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-methoxyphosphane
PubChem CID69050545
Molecular FormulaC9H13OP
Molecular Weight168.18 g/mol
Exact Mass168.07
IUPAC Name(2,3-dimethylphenyl)-methoxyphosphane
SMILESCOPc1cccc(C)c1C
InChIInChI=1S/C9H13OP/c1-7-5-4-6-9(8(7)2)11-10-3/h4-6,11H,1-3H3
InChIKeyLAMVWBNPAUTJEE-UHFFFAOYSA-N
XLogP2.17
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.18
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

Analyze (2,3-dimethylphenyl)-methoxyphosphane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethylphenyl)-methoxyphosphane?
The IUPAC name of (2,3-dimethylphenyl)-methoxyphosphane (CID 69050545) is (2,3-dimethylphenyl)-methoxyphosphane.
What is the SMILES notation for (2,3-dimethylphenyl)-methoxyphosphane?
The canonical SMILES for (2,3-dimethylphenyl)-methoxyphosphane is COPc1cccc(C)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-methoxyphosphane?
The InChIKey is LAMVWBNPAUTJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13OP/c1-7-5-4-6-9(8(7)2)11-10-3/h4-6,11H,1-3H3.
What are the key properties of (2,3-dimethylphenyl)-methoxyphosphane?
(2,3-dimethylphenyl)-methoxyphosphane has a molecular weight of 168.18 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-methoxyphosphane is sourced from PubChem (CID 69050545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).