methyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane

C14H23O3P — CID 71040141

IUPACmethyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane
SMILESCCC(C)(PC)c1cc(OC)cc(OC)c1OC
InChIInChI=1S/C14H23O3P/c1-7-14(2,18-6)11-8-10(15-3)9-12(16-4)13(11)17-5/h8-9,18H,7H2,1-6H3
InChIKeyXVMQNFMEUUVDJP-UHFFFAOYSA-N
MW270.31 g/mol
LogP3.65
Rot. Bonds6

About methyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane

methyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane (PubChem CID 71040141) has the molecular formula C14H23O3P and a molecular weight of 270.31 g/mol. Its IUPAC name is methyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane.

Molecular Properties

Compound Namemethyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane
PubChem CID71040141
Molecular FormulaC14H23O3P
Molecular Weight270.31 g/mol
Exact Mass270.14
IUPAC Namemethyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane
SMILESCCC(C)(PC)c1cc(OC)cc(OC)c1OC
InChIInChI=1S/C14H23O3P/c1-7-14(2,18-6)11-8-10(15-3)9-12(16-4)13(11)17-5/h8-9,18H,7H2,1-6H3
InChIKeyXVMQNFMEUUVDJP-UHFFFAOYSA-N
XLogP3.65
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.31
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane?
The IUPAC name of methyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane (CID 71040141) is methyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane.
What is the SMILES notation for methyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane?
The canonical SMILES for methyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane is CCC(C)(PC)c1cc(OC)cc(OC)c1OC.
What is the InChIKey of methyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane?
The InChIKey is XVMQNFMEUUVDJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23O3P/c1-7-14(2,18-6)11-8-10(15-3)9-12(16-4)13(11)17-5/h8-9,18H,7H2,1-6H3.
What are the key properties of methyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane?
methyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane has a molecular weight of 270.31 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[2-(2,3,5-trimethoxyphenyl)butan-2-yl]phosphane is sourced from PubChem (CID 71040141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).