bis(3-methylphenoxy)-propan-2-ylphosphane

C17H21O2P — CID 175546756

IUPACbis(3-methylphenoxy)-propan-2-ylphosphane
SMILESCc1cccc(OP(Oc2cccc(C)c2)C(C)C)c1
InChIInChI=1S/C17H21O2P/c1-13(2)20(18-16-9-5-7-14(3)11-16)19-17-10-6-8-15(4)12-17/h5-13H,1-4H3
InChIKeyFSRLUAMIGWQUMN-UHFFFAOYSA-N
MW288.33 g/mol
LogP5.48
Rot. Bonds5

About bis(3-methylphenoxy)-propan-2-ylphosphane

bis(3-methylphenoxy)-propan-2-ylphosphane (PubChem CID 175546756) has the molecular formula C17H21O2P and a molecular weight of 288.33 g/mol. Its IUPAC name is bis(3-methylphenoxy)-propan-2-ylphosphane.

Molecular Properties

Compound Namebis(3-methylphenoxy)-propan-2-ylphosphane
PubChem CID175546756
Molecular FormulaC17H21O2P
Molecular Weight288.33 g/mol
Exact Mass288.13
IUPAC Namebis(3-methylphenoxy)-propan-2-ylphosphane
SMILESCc1cccc(OP(Oc2cccc(C)c2)C(C)C)c1
InChIInChI=1S/C17H21O2P/c1-13(2)20(18-16-9-5-7-14(3)11-16)19-17-10-6-8-15(4)12-17/h5-13H,1-4H3
InChIKeyFSRLUAMIGWQUMN-UHFFFAOYSA-N
XLogP5.48
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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)-propylphosphane
CID 175546561
chloro-methoxy-(3-methylphenoxy)phosphane
CID 175546634
1-methyl-3-[4-(3-methylphenoxy)butoxy]benzene
CID 2237989
(2S)-2-methyl-3-(3-methylphenoxy)propan-1-amine
CID 93237376
1-methyl-3-[6-(3-methylphenoxy)hexoxy]benzene
CID 2304788
1,3-dimethyl-5-[(3-methylphenoxy)methyl]benzene
CID 60644540
1-methyl-3-(3-propan-2-ylphenoxy)benzene
CID 70851605
1-methyl-3-(2,4,4-trimethylpentoxy)benzene
CID 163995199
1-hexan-2-yloxy-3-methylbenzene
CID 58153502
1-methyl-3-(1-phenylethoxy)benzene
CID 64765647
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343

Frequently Asked Questions

What is the IUPAC name of bis(3-methylphenoxy)-propan-2-ylphosphane?
The IUPAC name of bis(3-methylphenoxy)-propan-2-ylphosphane (CID 175546756) is bis(3-methylphenoxy)-propan-2-ylphosphane.
What is the SMILES notation for bis(3-methylphenoxy)-propan-2-ylphosphane?
The canonical SMILES for bis(3-methylphenoxy)-propan-2-ylphosphane is Cc1cccc(OP(Oc2cccc(C)c2)C(C)C)c1.
What is the InChIKey of bis(3-methylphenoxy)-propan-2-ylphosphane?
The InChIKey is FSRLUAMIGWQUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21O2P/c1-13(2)20(18-16-9-5-7-14(3)11-16)19-17-10-6-8-15(4)12-17/h5-13H,1-4H3.
What are the key properties of bis(3-methylphenoxy)-propan-2-ylphosphane?
bis(3-methylphenoxy)-propan-2-ylphosphane has a molecular weight of 288.33 g/mol, XLogP of 5.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(3-methylphenoxy)-propan-2-ylphosphane is sourced from PubChem (CID 175546756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).