1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene

C17H21OP — CID 172716413

IUPAC1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene
SMILESCCCP(=O)(c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C17H21OP/c1-4-11-19(18,16-9-5-7-14(2)12-16)17-10-6-8-15(3)13-17/h5-10,12-13H,4,11H2,1-3H3
InChIKeyFXOJMRNFLNIMAH-UHFFFAOYSA-N
MW272.33 g/mol
LogP4.03
Rot. Bonds4

About 1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene

1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene (PubChem CID 172716413) has the molecular formula C17H21OP and a molecular weight of 272.33 g/mol. Its IUPAC name is 1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene.

Molecular Properties

Compound Name1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene
PubChem CID172716413
Molecular FormulaC17H21OP
Molecular Weight272.33 g/mol
Exact Mass272.13
IUPAC Name1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene
SMILESCCCP(=O)(c1cccc(C)c1)c1cccc(C)c1
InChIInChI=1S/C17H21OP/c1-4-11-19(18,16-9-5-7-14(2)12-16)17-10-6-8-15(3)13-17/h5-10,12-13H,4,11H2,1-3H3
InChIKeyFXOJMRNFLNIMAH-UHFFFAOYSA-N
XLogP4.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene?
The IUPAC name of 1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene (CID 172716413) is 1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene.
What is the SMILES notation for 1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene?
The canonical SMILES for 1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene is CCCP(=O)(c1cccc(C)c1)c1cccc(C)c1.
What is the InChIKey of 1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene?
The InChIKey is FXOJMRNFLNIMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21OP/c1-4-11-19(18,16-9-5-7-14(2)12-16)17-10-6-8-15(3)13-17/h5-10,12-13H,4,11H2,1-3H3.
What are the key properties of 1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene?
1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene has a molecular weight of 272.33 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-methylphenyl)-propylphosphoryl]benzene is sourced from PubChem (CID 172716413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).