ethyl 2-hydroxy-4-methylbenzoate

C10H12O3 — CID 13013009

IUPACethyl 2-hydroxy-4-methylbenzoate
SMILESCCOC(=O)c1ccc(C)cc1O
InChIInChI=1S/C10H12O3/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h4-6,11H,3H2,1-2H3
InChIKeyQABFSRANYBCWPK-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.88
Rot. Bonds2

About ethyl 2-hydroxy-4-methylbenzoate

ethyl 2-hydroxy-4-methylbenzoate (PubChem CID 13013009) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is ethyl 2-hydroxy-4-methylbenzoate.

Molecular Properties

Compound Nameethyl 2-hydroxy-4-methylbenzoate
PubChem CID13013009
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Nameethyl 2-hydroxy-4-methylbenzoate
SMILESCCOC(=O)c1ccc(C)cc1O
InChIInChI=1S/C10H12O3/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h4-6,11H,3H2,1-2H3
InChIKeyQABFSRANYBCWPK-UHFFFAOYSA-N
XLogP1.88
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-4-methylbenzoate?
The IUPAC name of ethyl 2-hydroxy-4-methylbenzoate (CID 13013009) is ethyl 2-hydroxy-4-methylbenzoate.
What is the SMILES notation for ethyl 2-hydroxy-4-methylbenzoate?
The canonical SMILES for ethyl 2-hydroxy-4-methylbenzoate is CCOC(=O)c1ccc(C)cc1O.
What is the InChIKey of ethyl 2-hydroxy-4-methylbenzoate?
The InChIKey is QABFSRANYBCWPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-3-13-10(12)8-5-4-7(2)6-9(8)11/h4-6,11H,3H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-4-methylbenzoate?
ethyl 2-hydroxy-4-methylbenzoate has a molecular weight of 180.20 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-4-methylbenzoate is sourced from PubChem (CID 13013009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).