triethyl (2-methoxyphenyl)methanetricarboxylate

C17H22O7 — CID 15732418

IUPACtriethyl (2-methoxyphenyl)methanetricarboxylate
SMILESCCOC(=O)C(C(=O)OCC)(C(=O)OCC)c1ccccc1OC
InChIInChI=1S/C17H22O7/c1-5-22-14(18)17(15(19)23-6-2,16(20)24-7-3)12-10-8-9-11-13(12)21-4/h8-11H,5-7H2,1-4H3
InChIKeyKWRQXIYHNNIZST-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.62
Rot. Bonds8

About triethyl (2-methoxyphenyl)methanetricarboxylate

triethyl (2-methoxyphenyl)methanetricarboxylate (PubChem CID 15732418) has the molecular formula C17H22O7 and a molecular weight of 338.36 g/mol. Its IUPAC name is triethyl (2-methoxyphenyl)methanetricarboxylate.

Molecular Properties

Compound Nametriethyl (2-methoxyphenyl)methanetricarboxylate
PubChem CID15732418
Molecular FormulaC17H22O7
Molecular Weight338.36 g/mol
Exact Mass338.14
IUPAC Nametriethyl (2-methoxyphenyl)methanetricarboxylate
SMILESCCOC(=O)C(C(=O)OCC)(C(=O)OCC)c1ccccc1OC
InChIInChI=1S/C17H22O7/c1-5-22-14(18)17(15(19)23-6-2,16(20)24-7-3)12-10-8-9-11-13(12)21-4/h8-11H,5-7H2,1-4H3
InChIKeyKWRQXIYHNNIZST-UHFFFAOYSA-N
XLogP1.62
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze triethyl (2-methoxyphenyl)methanetricarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 62214840
ethyl (2R)-2-hydroxy-2-(2-methoxyphenyl)propanoate
CID 121014752
ethyl 2-[2-(2-methoxyphenyl)propan-2-yl]-2-methylpentanoate
CID 141377256
ethyl 2-(2-methoxyphenyl)-2-(propan-2-ylamino)propanoate
CID 54918153
ethyl 2-fluoro-2-(3-methoxy-2-methylphenyl)propanoate
CID 171559871
ethyl 2-(cyclopentylamino)-2-(2-methoxyphenyl)propanoate
CID 60997682
ethyl 2-(aminomethyl)-2-[(2-methoxyphenyl)methyl]butanoate
CID 106487540
ethyl 2,2-difluoro-3-(2-methoxyphenyl)-3-oxopropanoate
CID 55071398
2,2-bis(2-methoxyphenyl)propanediamide
CID 118221758
ethyl 3-methoxy-2-(2-methoxyanilino)-2-methylpropanoate
CID 62536843
ethyl 2-ethyl-2-(2-methoxyanilino)butanoate
CID 54890504
ethyl 2-hydroxy-4-(2-methoxyphenyl)-2,3-dimethylbutanoate
CID 79308120

Frequently Asked Questions

What is the IUPAC name of triethyl (2-methoxyphenyl)methanetricarboxylate?
The IUPAC name of triethyl (2-methoxyphenyl)methanetricarboxylate (CID 15732418) is triethyl (2-methoxyphenyl)methanetricarboxylate.
What is the SMILES notation for triethyl (2-methoxyphenyl)methanetricarboxylate?
The canonical SMILES for triethyl (2-methoxyphenyl)methanetricarboxylate is CCOC(=O)C(C(=O)OCC)(C(=O)OCC)c1ccccc1OC.
What is the InChIKey of triethyl (2-methoxyphenyl)methanetricarboxylate?
The InChIKey is KWRQXIYHNNIZST-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O7/c1-5-22-14(18)17(15(19)23-6-2,16(20)24-7-3)12-10-8-9-11-13(12)21-4/h8-11H,5-7H2,1-4H3.
What are the key properties of triethyl (2-methoxyphenyl)methanetricarboxylate?
triethyl (2-methoxyphenyl)methanetricarboxylate has a molecular weight of 338.36 g/mol, XLogP of 1.62, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for triethyl (2-methoxyphenyl)methanetricarboxylate is sourced from PubChem (CID 15732418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).