[6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane

C16H20NOP — CID 143339610

IUPAC[6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane
SMILESCCc1cc(OC)ccc1-c1ccc(CPC)cn1
InChIInChI=1S/C16H20NOP/c1-4-13-9-14(18-2)6-7-15(13)16-8-5-12(10-17-16)11-19-3/h5-10,19H,4,11H2,1-3H3
InChIKeyWFJBUXODZRCANR-UHFFFAOYSA-N
MW273.32 g/mol
LogP4.13
Rot. Bonds5

About [6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane

[6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane (PubChem CID 143339610) has the molecular formula C16H20NOP and a molecular weight of 273.32 g/mol. Its IUPAC name is [6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane.

Molecular Properties

Compound Name[6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane
PubChem CID143339610
Molecular FormulaC16H20NOP
Molecular Weight273.32 g/mol
Exact Mass273.13
IUPAC Name[6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane
SMILESCCc1cc(OC)ccc1-c1ccc(CPC)cn1
InChIInChI=1S/C16H20NOP/c1-4-13-9-14(18-2)6-7-15(13)16-8-5-12(10-17-16)11-19-3/h5-10,19H,4,11H2,1-3H3
InChIKeyWFJBUXODZRCANR-UHFFFAOYSA-N
XLogP4.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane?
The IUPAC name of [6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane (CID 143339610) is [6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane.
What is the SMILES notation for [6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane?
The canonical SMILES for [6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane is CCc1cc(OC)ccc1-c1ccc(CPC)cn1.
What is the InChIKey of [6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane?
The InChIKey is WFJBUXODZRCANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20NOP/c1-4-13-9-14(18-2)6-7-15(13)16-8-5-12(10-17-16)11-19-3/h5-10,19H,4,11H2,1-3H3.
What are the key properties of [6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane?
[6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane has a molecular weight of 273.32 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-ethyl-4-methoxyphenyl)-3-pyridinyl]methyl-methylphosphane is sourced from PubChem (CID 143339610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).