3-methylbutoxy(phenoxy)phosphane

C11H17O2P — CID 175046720

IUPAC3-methylbutoxy(phenoxy)phosphane
SMILESCC(C)CCOPOc1ccccc1
InChIInChI=1S/C11H17O2P/c1-10(2)8-9-12-14-13-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3
InChIKeyCLJBBAXQFSQBMZ-UHFFFAOYSA-N
MW212.23 g/mol
LogP3.64
Rot. Bonds6

About 3-methylbutoxy(phenoxy)phosphane

3-methylbutoxy(phenoxy)phosphane (PubChem CID 175046720) has the molecular formula C11H17O2P and a molecular weight of 212.23 g/mol. Its IUPAC name is 3-methylbutoxy(phenoxy)phosphane.

Molecular Properties

Compound Name3-methylbutoxy(phenoxy)phosphane
PubChem CID175046720
Molecular FormulaC11H17O2P
Molecular Weight212.23 g/mol
Exact Mass212.10
IUPAC Name3-methylbutoxy(phenoxy)phosphane
SMILESCC(C)CCOPOc1ccccc1
InChIInChI=1S/C11H17O2P/c1-10(2)8-9-12-14-13-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3
InChIKeyCLJBBAXQFSQBMZ-UHFFFAOYSA-N
XLogP3.64
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.23
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylbutoxy(phenoxy)phosphane?
The IUPAC name of 3-methylbutoxy(phenoxy)phosphane (CID 175046720) is 3-methylbutoxy(phenoxy)phosphane.
What is the SMILES notation for 3-methylbutoxy(phenoxy)phosphane?
The canonical SMILES for 3-methylbutoxy(phenoxy)phosphane is CC(C)CCOPOc1ccccc1.
What is the InChIKey of 3-methylbutoxy(phenoxy)phosphane?
The InChIKey is CLJBBAXQFSQBMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17O2P/c1-10(2)8-9-12-14-13-11-6-4-3-5-7-11/h3-7,10,14H,8-9H2,1-2H3.
What are the key properties of 3-methylbutoxy(phenoxy)phosphane?
3-methylbutoxy(phenoxy)phosphane has a molecular weight of 212.23 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylbutoxy(phenoxy)phosphane is sourced from PubChem (CID 175046720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).