2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid

C16H14O5 — CID 53227127

IUPAC2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid
SMILESCOC(=O)c1ccc(-c2cccc(C(=O)O)c2OC)cc1
InChIInChI=1S/C16H14O5/c1-20-14-12(4-3-5-13(14)15(17)18)10-6-8-11(9-7-10)16(19)21-2/h3-9H,1-2H3,(H,17,18)
InChIKeyLIIQRMXKGLHGSZ-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.85
Rot. Bonds4

About 2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid

2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid (PubChem CID 53227127) has the molecular formula C16H14O5 and a molecular weight of 286.28 g/mol. Its IUPAC name is 2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid.

Molecular Properties

Compound Name2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid
PubChem CID53227127
Molecular FormulaC16H14O5
Molecular Weight286.28 g/mol
Exact Mass286.08
IUPAC Name2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid
SMILESCOC(=O)c1ccc(-c2cccc(C(=O)O)c2OC)cc1
InChIInChI=1S/C16H14O5/c1-20-14-12(4-3-5-13(14)15(17)18)10-6-8-11(9-7-10)16(19)21-2/h3-9H,1-2H3,(H,17,18)
InChIKeyLIIQRMXKGLHGSZ-UHFFFAOYSA-N
XLogP2.85
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-ethoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53227875
2-methoxy-3-(3-methoxycarbonylphenyl)benzoic acid
CID 53227096
3-(4-hydroxyphenyl)-2-methoxybenzoic acid
CID 53224993
3-(2-fluoro-4-methoxycarbonylphenyl)-2-methoxybenzoic acid
CID 53227906
3-(3,4-dimethoxyphenyl)-2-methoxybenzoic acid
CID 53227259
2-methoxy-3-(4-methoxy-3-methylphenyl)benzoic acid
CID 53226287
3-[3-(hydroxymethyl)phenyl]-2-methoxybenzoic acid
CID 53225350
methyl 4-(2-hydroxyphenyl)benzoate
CID 4564856
[2-methoxy-3-(4-methoxyphenyl)phenyl]-phenylmethanone
CID 154019632
2-methoxy-3-(2-methoxyphenyl)benzoic acid
CID 53225402
methyl 4-(2-propanoylphenyl)benzoate
CID 174354570
2,3-dimethoxy-4-phenylbenzoic acid
CID 22633208

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid?
The IUPAC name of 2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid (CID 53227127) is 2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid.
What is the SMILES notation for 2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid?
The canonical SMILES for 2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid is COC(=O)c1ccc(-c2cccc(C(=O)O)c2OC)cc1.
What is the InChIKey of 2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid?
The InChIKey is LIIQRMXKGLHGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O5/c1-20-14-12(4-3-5-13(14)15(17)18)10-6-8-11(9-7-10)16(19)21-2/h3-9H,1-2H3,(H,17,18).
What are the key properties of 2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid?
2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid has a molecular weight of 286.28 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(4-methoxycarbonylphenyl)benzoic acid is sourced from PubChem (CID 53227127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).