methyl 2-hydroxybenzoate

C8H8O3 — CID 4133

IUPACmethyl 2-hydroxybenzoate
SMILESCOC(=O)c1ccccc1O
InChIInChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChIKeyOSWPMRLSEDHDFF-UHFFFAOYSA-N
MW152.15 g/mol
LogP1.18
Rot. Bonds1

About methyl 2-hydroxybenzoate

methyl 2-hydroxybenzoate (PubChem CID 4133) has the molecular formula C8H8O3 and a molecular weight of 152.15 g/mol. Its IUPAC name is methyl 2-hydroxybenzoate.

Molecular Properties

Compound Namemethyl 2-hydroxybenzoate
PubChem CID4133
Molecular FormulaC8H8O3
Molecular Weight152.15 g/mol
Exact Mass152.05
IUPAC Namemethyl 2-hydroxybenzoate
SMILESCOC(=O)c1ccccc1O
InChIInChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3
InChIKeyOSWPMRLSEDHDFF-UHFFFAOYSA-N
XLogP1.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methylparaben
CID 7456
Salicylic Acid
CID 338
Propylparaben
CID 7175
Butylparaben
CID 7184
Ethylparaben
CID 8434
Aspirin
CID 2244
2,5-Dihydroxybenzoic acid
CID 3469
Salicylaldehyde
CID 6998
Benzyl Salicylate
CID 8363
Sodium Salicylate
CID 16760658
Salsalate
CID 5161
Salicylate
CID 54675850

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxybenzoate?
The IUPAC name of methyl 2-hydroxybenzoate (CID 4133) is methyl 2-hydroxybenzoate.
What is the SMILES notation for methyl 2-hydroxybenzoate?
The canonical SMILES for methyl 2-hydroxybenzoate is COC(=O)c1ccccc1O.
What is the InChIKey of methyl 2-hydroxybenzoate?
The InChIKey is OSWPMRLSEDHDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8O3/c1-11-8(10)6-4-2-3-5-7(6)9/h2-5,9H,1H3.
What are the key properties of methyl 2-hydroxybenzoate?
methyl 2-hydroxybenzoate has a molecular weight of 152.15 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxybenzoate is sourced from PubChem (CID 4133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).