diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane

C19H23O4P — CID 174586707

IUPACdiethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane
SMILESCCOC(=O)c1ccccc1C(=O)OCC.Cc1ccc(P)cc1
InChIInChI=1S/C12H14O4.C7H9P/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2;1-6-2-4-7(8)5-3-6/h5-8H,3-4H2,1-2H3;2-5H,8H2,1H3
InChIKeyJWDXLZPUAVFVBF-UHFFFAOYSA-N
MW346.36 g/mol
LogP3.54
Rot. Bonds4

About diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane

diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane (PubChem CID 174586707) has the molecular formula C19H23O4P and a molecular weight of 346.36 g/mol. Its IUPAC name is diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane.

Molecular Properties

Compound Namediethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane
PubChem CID174586707
Molecular FormulaC19H23O4P
Molecular Weight346.36 g/mol
Exact Mass346.13
IUPAC Namediethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane
SMILESCCOC(=O)c1ccccc1C(=O)OCC.Cc1ccc(P)cc1
InChIInChI=1S/C12H14O4.C7H9P/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2;1-6-2-4-7(8)5-3-6/h5-8H,3-4H2,1-2H3;2-5H,8H2,1H3
InChIKeyJWDXLZPUAVFVBF-UHFFFAOYSA-N
XLogP3.54
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 53.54
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

diethyl benzene-1,2-dicarboxylate;1-phosphanylethanone
CID 174959063
ethyl 2-(4-methylphenyl)benzoate
CID 10922668
2-O-amino 1-O-ethyl benzene-1,2-dicarboxylate
CID 154139708
diethyl benzene-1,2-dicarboxylate;isocyanic acid
CID 174879507
butylphosphane;diethyl benzene-1,2-dicarboxylate
CID 160516676
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266
ethyl 2-(2-aminoacetyl)benzoate
CID 18694028
CID 89246806
CID 89246806
ethyl 2-[(4-methylphenyl)methoxy]benzoate
CID 82186194
diethyl benzene-1,2-dicarboxylate;2-methylbenzenesulfonic acid;methylphosphane
CID 174842450
sodium;ethyl 2-methylbenzoate;hydride
CID 174396999

Frequently Asked Questions

What is the IUPAC name of diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane?
The IUPAC name of diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane (CID 174586707) is diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane.
What is the SMILES notation for diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane?
The canonical SMILES for diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane is CCOC(=O)c1ccccc1C(=O)OCC.Cc1ccc(P)cc1.
What is the InChIKey of diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane?
The InChIKey is JWDXLZPUAVFVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O4.C7H9P/c1-3-15-11(13)9-7-5-6-8-10(9)12(14)16-4-2;1-6-2-4-7(8)5-3-6/h5-8H,3-4H2,1-2H3;2-5H,8H2,1H3.
What are the key properties of diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane?
diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane has a molecular weight of 346.36 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl benzene-1,2-dicarboxylate;(4-methylphenyl)phosphane is sourced from PubChem (CID 174586707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).