2-(carboxylatomethyl)-5-methoxybenzoate

C10H8O5-2 — CID 2305422

IUPAC2-(carboxylatomethyl)-5-methoxybenzoate
SMILESCOc1ccc(CC(=O)[O-])c(C(=O)[O-])c1
InChIInChI=1S/C10H10O5/c1-15-7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)/p-2
InChIKeyTUJHFMJYEXSKLS-UHFFFAOYSA-L
MW208.17 g/mol
LogP-1.65
Rot. Bonds4

About 2-(carboxylatomethyl)-5-methoxybenzoate

2-(carboxylatomethyl)-5-methoxybenzoate (PubChem CID 2305422) has the molecular formula C10H8O5-2 and a molecular weight of 208.17 g/mol. Its IUPAC name is 2-(carboxylatomethyl)-5-methoxybenzoate.

Molecular Properties

Compound Name2-(carboxylatomethyl)-5-methoxybenzoate
PubChem CID2305422
Molecular FormulaC10H8O5-2
Molecular Weight208.17 g/mol
Exact Mass208.04
IUPAC Name2-(carboxylatomethyl)-5-methoxybenzoate
SMILESCOc1ccc(CC(=O)[O-])c(C(=O)[O-])c1
InChIInChI=1S/C10H10O5/c1-15-7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)/p-2
InChIKeyTUJHFMJYEXSKLS-UHFFFAOYSA-L
XLogP-1.65
TPSA89.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.17
LogP ≤ 5-1.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(carboxylatomethyl)-5-methoxybenzoate 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

2-(2,2-dichloroethyl)-5-methoxybenzoate
CID 6920239
2-ethyl-4-methoxybenzoate
CID 23362607
2,4-dimethoxybenzoate
CID 6947027
2-acetamido-5-methoxybenzoate
CID 6928297
methyl 2-ethyl-5-methoxybenzoate
CID 89096132
ethyl 5-methoxy-2-(2-oxopropyl)benzoate
CID 134645022
1-ethyl-4-methoxy-2-prop-1-en-2-ylbenzene
CID 70233927
2-bromo-1-[2-(bromomethyl)-5-methoxyphenyl]propan-1-one
CID 131405808
2-[bis(5-methylfuran-2-yl)methyl]-5-methoxybenzoate
CID 7174474
disodium;4-(methoxymethoxy)phthalate
CID 131725674
3-(5-methoxy-1-benzofuran-3-yl)propanoate
CID 6921490
2-(2-chloroanilino)-5-methoxybenzoate
CID 7098725

Frequently Asked Questions

What is the IUPAC name of 2-(carboxylatomethyl)-5-methoxybenzoate?
The IUPAC name of 2-(carboxylatomethyl)-5-methoxybenzoate (CID 2305422) is 2-(carboxylatomethyl)-5-methoxybenzoate.
What is the SMILES notation for 2-(carboxylatomethyl)-5-methoxybenzoate?
The canonical SMILES for 2-(carboxylatomethyl)-5-methoxybenzoate is COc1ccc(CC(=O)[O-])c(C(=O)[O-])c1.
What is the InChIKey of 2-(carboxylatomethyl)-5-methoxybenzoate?
The InChIKey is TUJHFMJYEXSKLS-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H10O5/c1-15-7-3-2-6(4-9(11)12)8(5-7)10(13)14/h2-3,5H,4H2,1H3,(H,11,12)(H,13,14)/p-2.
What are the key properties of 2-(carboxylatomethyl)-5-methoxybenzoate?
2-(carboxylatomethyl)-5-methoxybenzoate has a molecular weight of 208.17 g/mol, XLogP of -1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(carboxylatomethyl)-5-methoxybenzoate is sourced from PubChem (CID 2305422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).