bis(3-methylphenoxy)-propylphosphane

C17H21O2P — CID 175546561

IUPACbis(3-methylphenoxy)-propylphosphane
SMILESCCCP(Oc1cccc(C)c1)Oc1cccc(C)c1
InChIInChI=1S/C17H21O2P/c1-4-11-20(18-16-9-5-7-14(2)12-16)19-17-10-6-8-15(3)13-17/h5-10,12-13H,4,11H2,1-3H3
InChIKeyLDEVTUMJVABKFD-UHFFFAOYSA-N
MW288.33 g/mol
LogP5.48
Rot. Bonds6

About bis(3-methylphenoxy)-propylphosphane

bis(3-methylphenoxy)-propylphosphane (PubChem CID 175546561) has the molecular formula C17H21O2P and a molecular weight of 288.33 g/mol. Its IUPAC name is bis(3-methylphenoxy)-propylphosphane.

Molecular Properties

Compound Namebis(3-methylphenoxy)-propylphosphane
PubChem CID175546561
Molecular FormulaC17H21O2P
Molecular Weight288.33 g/mol
Exact Mass288.13
IUPAC Namebis(3-methylphenoxy)-propylphosphane
SMILESCCCP(Oc1cccc(C)c1)Oc1cccc(C)c1
InChIInChI=1S/C17H21O2P/c1-4-11-20(18-16-9-5-7-14(2)12-16)19-17-10-6-8-15(3)13-17/h5-10,12-13H,4,11H2,1-3H3
InChIKeyLDEVTUMJVABKFD-UHFFFAOYSA-N
XLogP5.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.33
LogP ≤ 55.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methylbutyl-bis(3-methylphenoxy)phosphane
CID 175546622
bis(3-methylphenoxy)-propan-2-ylphosphane
CID 175546756
chloro-methoxy-(3-methylphenoxy)phosphane
CID 175546634
hexane;1-methyl-3-(trifluoromethoxy)benzene
CID 143689144
1-methyl-3-pentadecoxybenzene
CID 154641822
1-hexadecoxy-3-methylbenzene
CID 154641790
2,2-bis(3-methylphenoxy)-4,4,6,6,8,8-hexapropoxy-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 139877972
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
ethane;1-ethoxy-3-methylbenzene;methanol
CID 142994688
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
2-(3-methylphenoxy)ethyl-trioctylazanium
CID 21333684
2-(3-methylphenoxy)ethyl-tri(nonyl)azanium
CID 21333683

Frequently Asked Questions

What is the IUPAC name of bis(3-methylphenoxy)-propylphosphane?
The IUPAC name of bis(3-methylphenoxy)-propylphosphane (CID 175546561) is bis(3-methylphenoxy)-propylphosphane.
What is the SMILES notation for bis(3-methylphenoxy)-propylphosphane?
The canonical SMILES for bis(3-methylphenoxy)-propylphosphane is CCCP(Oc1cccc(C)c1)Oc1cccc(C)c1.
What is the InChIKey of bis(3-methylphenoxy)-propylphosphane?
The InChIKey is LDEVTUMJVABKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O2P/c1-4-11-20(18-16-9-5-7-14(2)12-16)19-17-10-6-8-15(3)13-17/h5-10,12-13H,4,11H2,1-3H3.
What are the key properties of bis(3-methylphenoxy)-propylphosphane?
bis(3-methylphenoxy)-propylphosphane has a molecular weight of 288.33 g/mol, XLogP of 5.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylphenoxy)-propylphosphane is sourced from PubChem (CID 175546561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).