2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane

C18H29OP — CID 21343707

IUPAC2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane
SMILESCCC1C(C)CCC(C(C)C)P1c1ccccc1OC
InChIInChI=1S/C18H29OP/c1-6-16-14(4)11-12-17(13(2)3)20(16)18-10-8-7-9-15(18)19-5/h7-10,13-14,16-17H,6,11-12H2,1-5H3
InChIKeyNRZZNACYTILMQM-UHFFFAOYSA-N
MW292.40 g/mol
LogP5.04
Rot. Bonds4

About 2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane

2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane (PubChem CID 21343707) has the molecular formula C18H29OP and a molecular weight of 292.40 g/mol. Its IUPAC name is 2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane.

Molecular Properties

Compound Name2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane
PubChem CID21343707
Molecular FormulaC18H29OP
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC Name2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane
SMILESCCC1C(C)CCC(C(C)C)P1c1ccccc1OC
InChIInChI=1S/C18H29OP/c1-6-16-14(4)11-12-17(13(2)3)20(16)18-10-8-7-9-15(18)19-5/h7-10,13-14,16-17H,6,11-12H2,1-5H3
InChIKeyNRZZNACYTILMQM-UHFFFAOYSA-N
XLogP5.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.40
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane?
The IUPAC name of 2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane (CID 21343707) is 2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane.
What is the SMILES notation for 2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane?
The canonical SMILES for 2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane is CCC1C(C)CCC(C(C)C)P1c1ccccc1OC.
What is the InChIKey of 2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane?
The InChIKey is NRZZNACYTILMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29OP/c1-6-16-14(4)11-12-17(13(2)3)20(16)18-10-8-7-9-15(18)19-5/h7-10,13-14,16-17H,6,11-12H2,1-5H3.
What are the key properties of 2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane?
2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane has a molecular weight of 292.40 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1-(2-methoxyphenyl)-3-methyl-6-propan-2-ylphosphinane is sourced from PubChem (CID 21343707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).