methyl 3-hydroxy-2,4-dimethylbenzoate

C10H12O3 — CID 118991641

IUPACmethyl 3-hydroxy-2,4-dimethylbenzoate
SMILESCOC(=O)c1ccc(C)c(O)c1C
InChIInChI=1S/C10H12O3/c1-6-4-5-8(10(12)13-3)7(2)9(6)11/h4-5,11H,1-3H3
InChIKeyAGONCIAHEMIWEC-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.80
Rot. Bonds1

About methyl 3-hydroxy-2,4-dimethylbenzoate

methyl 3-hydroxy-2,4-dimethylbenzoate (PubChem CID 118991641) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is methyl 3-hydroxy-2,4-dimethylbenzoate.

Molecular Properties

Compound Namemethyl 3-hydroxy-2,4-dimethylbenzoate
PubChem CID118991641
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namemethyl 3-hydroxy-2,4-dimethylbenzoate
SMILESCOC(=O)c1ccc(C)c(O)c1C
InChIInChI=1S/C10H12O3/c1-6-4-5-8(10(12)13-3)7(2)9(6)11/h4-5,11H,1-3H3
InChIKeyAGONCIAHEMIWEC-UHFFFAOYSA-N
XLogP1.80
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-amino-3-hydroxy-2-methylbenzoate;hydrochloride
CID 155973615
methyl 4-chloro-3-hydroxy-2-methylbenzoate
CID 22559906
methyl 2-acetamido-3-hydroxy-4-methylbenzoate
CID 139590400
methyl 3-chloro-2-hydroxy-4-methylbenzoate
CID 131421304
dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
methyl 3-amino-4-hydroxy-2-methylbenzoate
CID 84768345
methyl 2-[(3-hydroxy-2,4-dimethylanilino)methyl]benzoate
CID 43790151
methyl 3-hydroxy-2-methyl-4-phenylmethoxybenzoate
CID 141491385
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552
2,3-dihydroxy-1-N,4-N-bis(2-methoxyethyl)benzene-1,4-dicarboxamide;dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate
CID 159716996
methyl 2-amino-4-hydroxy-3-methylbenzoate
CID 131285630
dimethyl 2-methoxy-4-methylbenzene-1,3-dicarboxylate
CID 121010380

Frequently Asked Questions

What is the IUPAC name of methyl 3-hydroxy-2,4-dimethylbenzoate?
The IUPAC name of methyl 3-hydroxy-2,4-dimethylbenzoate (CID 118991641) is methyl 3-hydroxy-2,4-dimethylbenzoate.
What is the SMILES notation for methyl 3-hydroxy-2,4-dimethylbenzoate?
The canonical SMILES for methyl 3-hydroxy-2,4-dimethylbenzoate is COC(=O)c1ccc(C)c(O)c1C.
What is the InChIKey of methyl 3-hydroxy-2,4-dimethylbenzoate?
The InChIKey is AGONCIAHEMIWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-6-4-5-8(10(12)13-3)7(2)9(6)11/h4-5,11H,1-3H3.
What are the key properties of methyl 3-hydroxy-2,4-dimethylbenzoate?
methyl 3-hydroxy-2,4-dimethylbenzoate has a molecular weight of 180.20 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-hydroxy-2,4-dimethylbenzoate is sourced from PubChem (CID 118991641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).