chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane

C13H20ClO3P — CID 88969094

IUPACchloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane
SMILESCCC(C)(PCl)c1cccc(OC)c1OCOC
InChIInChI=1S/C13H20ClO3P/c1-5-13(2,18-14)10-7-6-8-11(16-4)12(10)17-9-15-3/h6-8,18H,5,9H2,1-4H3
InChIKeyXLOBHUQNTKKOTB-UHFFFAOYSA-N
MW290.73 g/mol
LogP4.14
Rot. Bonds7

About chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane

chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane (PubChem CID 88969094) has the molecular formula C13H20ClO3P and a molecular weight of 290.73 g/mol. Its IUPAC name is chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane.

Molecular Properties

Compound Namechloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane
PubChem CID88969094
Molecular FormulaC13H20ClO3P
Molecular Weight290.73 g/mol
Exact Mass290.08
IUPAC Namechloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane
SMILESCCC(C)(PCl)c1cccc(OC)c1OCOC
InChIInChI=1S/C13H20ClO3P/c1-5-13(2,18-14)10-7-6-8-11(16-4)12(10)17-9-15-3/h6-8,18H,5,9H2,1-4H3
InChIKeyXLOBHUQNTKKOTB-UHFFFAOYSA-N
XLogP4.14
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.73
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane?
The IUPAC name of chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane (CID 88969094) is chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane.
What is the SMILES notation for chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane?
The canonical SMILES for chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane is CCC(C)(PCl)c1cccc(OC)c1OCOC.
What is the InChIKey of chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane?
The InChIKey is XLOBHUQNTKKOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClO3P/c1-5-13(2,18-14)10-7-6-8-11(16-4)12(10)17-9-15-3/h6-8,18H,5,9H2,1-4H3.
What are the key properties of chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane?
chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane has a molecular weight of 290.73 g/mol, XLogP of 4.14, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[2-[3-methoxy-2-(methoxymethoxy)phenyl]butan-2-yl]phosphane is sourced from PubChem (CID 88969094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).