(2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium

C19H30O4P+ — CID 3844130

IUPAC(2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium
SMILESCCOC(=O)C[P+](Cc1ccc(C(=O)OC)cc1)(C(C)C)C(C)C
InChIInChI=1S/C19H30O4P/c1-7-23-18(20)13-24(14(2)3,15(4)5)12-16-8-10-17(11-9-16)19(21)22-6/h8-11,14-15H,7,12-13H2,1-6H3/q+1
InChIKeyUGXCJYOAQAMRQF-UHFFFAOYSA-N
MW353.42 g/mol
LogP4.37
Rot. Bonds8

About (2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium

(2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium (PubChem CID 3844130) has the molecular formula C19H30O4P+ and a molecular weight of 353.42 g/mol. Its IUPAC name is (2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium.

Molecular Properties

Compound Name(2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium
PubChem CID3844130
Molecular FormulaC19H30O4P+
Molecular Weight353.42 g/mol
Exact Mass353.19
IUPAC Name(2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium
SMILESCCOC(=O)C[P+](Cc1ccc(C(=O)OC)cc1)(C(C)C)C(C)C
InChIInChI=1S/C19H30O4P/c1-7-23-18(20)13-24(14(2)3,15(4)5)12-16-8-10-17(11-9-16)19(21)22-6/h8-11,14-15H,7,12-13H2,1-6H3/q+1
InChIKeyUGXCJYOAQAMRQF-UHFFFAOYSA-N
XLogP4.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[(1S)-1-amino-3-ethoxy-3-oxopropyl]benzoate;hydrochloride
CID 171232319
methyl 4-[(2R)-2-aminopropyl]benzoate
CID 22823241
methyl 4-[[(3-ethoxy-3-oxopropyl)amino]methyl]benzoate
CID 60649490
methyl 4-[[(3-ethoxy-3-oxopropyl)-methylamino]methyl]benzoate
CID 62013375
methyl 4-(2-methoxypropyl)benzoate
CID 57294671
ethyl 4-[2-(methylamino)propyl]benzoate
CID 70900098
methyl 4-(2-methyl-3-oxopropyl)benzoate
CID 71336358
methyl 4-(3-ethoxy-2,2-dimethyl-3-oxopropyl)benzoate
CID 125467449
methyl 4-[1-(ethoxycarbonylamino)propan-2-yl]benzoate
CID 71252299
methyl 4-[2,2-bis[di(propan-2-yloxy)phosphoryl]ethyl]benzoate
CID 90976006
2-bromo-3-(4-methoxycarbonylphenyl)propanoic acid
CID 150848084
methyl 4-[(2-ethoxy-2-oxoacetyl)amino]benzoate
CID 2880570

Frequently Asked Questions

What is the IUPAC name of (2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium?
The IUPAC name of (2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium (CID 3844130) is (2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium.
What is the SMILES notation for (2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium?
The canonical SMILES for (2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium is CCOC(=O)C[P+](Cc1ccc(C(=O)OC)cc1)(C(C)C)C(C)C.
What is the InChIKey of (2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium?
The InChIKey is UGXCJYOAQAMRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30O4P/c1-7-23-18(20)13-24(14(2)3,15(4)5)12-16-8-10-17(11-9-16)19(21)22-6/h8-11,14-15H,7,12-13H2,1-6H3/q+1.
What are the key properties of (2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium?
(2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium has a molecular weight of 353.42 g/mol, XLogP of 4.37, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethoxy-2-oxoethyl)-[(4-methoxycarbonylphenyl)methyl]-di(propan-2-yl)phosphanium is sourced from PubChem (CID 3844130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).