2-methoxybenzoate

C8H7O3- — CID 6950218

IUPAC2-methoxybenzoate
SMILESCOc1ccccc1C(=O)[O-]
InChIInChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKeyILUJQPXNXACGAN-UHFFFAOYSA-M
MW151.14 g/mol
LogP0.06
Rot. Bonds2

About 2-methoxybenzoate

2-methoxybenzoate (PubChem CID 6950218) has the molecular formula C8H7O3- and a molecular weight of 151.14 g/mol. Its IUPAC name is 2-methoxybenzoate.

Molecular Properties

Compound Name2-methoxybenzoate
PubChem CID6950218
Molecular FormulaC8H7O3-
Molecular Weight151.14 g/mol
Exact Mass151.04
IUPAC Name2-methoxybenzoate
SMILESCOc1ccccc1C(=O)[O-]
InChIInChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)/p-1
InChIKeyILUJQPXNXACGAN-UHFFFAOYSA-M
XLogP0.06
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.14
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 338
Aspirin
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Methyl Salicylate
CID 4133
Benzyl Salicylate
CID 8363
Salsalate
CID 5161
Isocarbophos
CID 90479
Salicylate
CID 54675850
Phenyl Salicylate
CID 8361
2-Ethylhexyl salicylate
CID 8364
Ethyl Salicylate
CID 8365
Isoflavone
CID 72304
5-Methoxysalicylic Acid
CID 75787

Frequently Asked Questions

What is the IUPAC name of 2-methoxybenzoate?
The IUPAC name of 2-methoxybenzoate (CID 6950218) is 2-methoxybenzoate.
What is the SMILES notation for 2-methoxybenzoate?
The canonical SMILES for 2-methoxybenzoate is COc1ccccc1C(=O)[O-].
What is the InChIKey of 2-methoxybenzoate?
The InChIKey is ILUJQPXNXACGAN-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8O3/c1-11-7-5-3-2-4-6(7)8(9)10/h2-5H,1H3,(H,9,10)/p-1.
What are the key properties of 2-methoxybenzoate?
2-methoxybenzoate has a molecular weight of 151.14 g/mol, XLogP of 0.06, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzoate is sourced from PubChem (CID 6950218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).