2-methoxybenzoate;hydrochloride

C8H8ClO3- — CID 18793456

IUPAC2-methoxybenzoate;hydrochloride
SMILESCOc1ccccc1C(=O)[O-].Cl
InChIInChI=1S/C8H8O3.ClH/c1-11-7-5-3-2-4-6(7)8(9)10;/h2-5H,1H3,(H,9,10);1H/p-1
InChIKeyRWFXDZIZBGXSNL-UHFFFAOYSA-M
MW187.60 g/mol
LogP0.48
Rot. Bonds2

About 2-methoxybenzoate;hydrochloride

2-methoxybenzoate;hydrochloride (PubChem CID 18793456) has the molecular formula C8H8ClO3- and a molecular weight of 187.60 g/mol. Its IUPAC name is 2-methoxybenzoate;hydrochloride.

Molecular Properties

Compound Name2-methoxybenzoate;hydrochloride
PubChem CID18793456
Molecular FormulaC8H8ClO3-
Molecular Weight187.60 g/mol
Exact Mass187.02
IUPAC Name2-methoxybenzoate;hydrochloride
SMILESCOc1ccccc1C(=O)[O-].Cl
InChIInChI=1S/C8H8O3.ClH/c1-11-7-5-3-2-4-6(7)8(9)10;/h2-5H,1H3,(H,9,10);1H/p-1
InChIKeyRWFXDZIZBGXSNL-UHFFFAOYSA-M
XLogP0.48
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.60
LogP ≤ 50.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxybenzoate;hydrochloride?
The IUPAC name of 2-methoxybenzoate;hydrochloride (CID 18793456) is 2-methoxybenzoate;hydrochloride.
What is the SMILES notation for 2-methoxybenzoate;hydrochloride?
The canonical SMILES for 2-methoxybenzoate;hydrochloride is COc1ccccc1C(=O)[O-].Cl.
What is the InChIKey of 2-methoxybenzoate;hydrochloride?
The InChIKey is RWFXDZIZBGXSNL-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H8O3.ClH/c1-11-7-5-3-2-4-6(7)8(9)10;/h2-5H,1H3,(H,9,10);1H/p-1.
What are the key properties of 2-methoxybenzoate;hydrochloride?
2-methoxybenzoate;hydrochloride has a molecular weight of 187.60 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxybenzoate;hydrochloride is sourced from PubChem (CID 18793456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).