2-(2-methoxycarbonylphenoxy)benzoic acid

C15H12O5 — CID 166513979

IUPAC2-(2-methoxycarbonylphenoxy)benzoic acid
SMILESCOC(=O)c1ccccc1Oc1ccccc1C(=O)O
InChIInChI=1S/C15H12O5/c1-19-15(18)11-7-3-5-9-13(11)20-12-8-4-2-6-10(12)14(16)17/h2-9H,1H3,(H,16,17)
InChIKeyGGXWFYAXCMLYRO-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.96
Rot. Bonds4

About 2-(2-methoxycarbonylphenoxy)benzoic acid

2-(2-methoxycarbonylphenoxy)benzoic acid (PubChem CID 166513979) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-(2-methoxycarbonylphenoxy)benzoic acid.

Molecular Properties

Compound Name2-(2-methoxycarbonylphenoxy)benzoic acid
PubChem CID166513979
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name2-(2-methoxycarbonylphenoxy)benzoic acid
SMILESCOC(=O)c1ccccc1Oc1ccccc1C(=O)O
InChIInChI=1S/C15H12O5/c1-19-15(18)11-7-3-5-9-13(11)20-12-8-4-2-6-10(12)14(16)17/h2-9H,1H3,(H,16,17)
InChIKeyGGXWFYAXCMLYRO-UHFFFAOYSA-N
XLogP2.96
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-carboxyphenoxy)benzoic acid;ethene
CID 67642848
ethane;methyl 2-methoxybenzoate
CID 178037044
2-(5-methoxycarbonylfuran-2-yl)oxybenzoic acid
CID 10563400
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
2-[(2-methoxycarbonylphenoxy)methyl]benzoic acid
CID 70197769
2-[2,3-bis(2-carboxyphenoxy)phenoxy]benzoic acid
CID 68804426
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[(2-methoxycarbonylphenoxy)-phenylphosphanyl]oxybenzoate
CID 12930619
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
2-chlorooxybenzoic acid;dimethyl carbonate
CID 174925399
2-(2-methoxycarbonylphenoxy)propanoic acid
CID 117053908
methyl 2-(4-bromo-2-fluorophenoxy)benzoate
CID 90285144

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxycarbonylphenoxy)benzoic acid?
The IUPAC name of 2-(2-methoxycarbonylphenoxy)benzoic acid (CID 166513979) is 2-(2-methoxycarbonylphenoxy)benzoic acid.
What is the SMILES notation for 2-(2-methoxycarbonylphenoxy)benzoic acid?
The canonical SMILES for 2-(2-methoxycarbonylphenoxy)benzoic acid is COC(=O)c1ccccc1Oc1ccccc1C(=O)O.
What is the InChIKey of 2-(2-methoxycarbonylphenoxy)benzoic acid?
The InChIKey is GGXWFYAXCMLYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-19-15(18)11-7-3-5-9-13(11)20-12-8-4-2-6-10(12)14(16)17/h2-9H,1H3,(H,16,17).
What are the key properties of 2-(2-methoxycarbonylphenoxy)benzoic acid?
2-(2-methoxycarbonylphenoxy)benzoic acid has a molecular weight of 272.26 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxycarbonylphenoxy)benzoic acid is sourced from PubChem (CID 166513979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).