methyl 4-hydroxy-3-methylbenzoate

C9H10O3 — CID 11240684

IUPACmethyl 4-hydroxy-3-methylbenzoate
SMILESCOC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C9H10O3/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5,10H,1-2H3
InChIKeyQBMHMOKIFSCFCX-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.49
Rot. Bonds1

About methyl 4-hydroxy-3-methylbenzoate

methyl 4-hydroxy-3-methylbenzoate (PubChem CID 11240684) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 4-hydroxy-3-methylbenzoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-3-methylbenzoate
PubChem CID11240684
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Namemethyl 4-hydroxy-3-methylbenzoate
SMILESCOC(=O)c1ccc(O)c(C)c1
InChIInChI=1S/C9H10O3/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5,10H,1-2H3
InChIKeyQBMHMOKIFSCFCX-UHFFFAOYSA-N
XLogP1.49
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-3-methylbenzoate?
The IUPAC name of methyl 4-hydroxy-3-methylbenzoate (CID 11240684) is methyl 4-hydroxy-3-methylbenzoate.
What is the SMILES notation for methyl 4-hydroxy-3-methylbenzoate?
The canonical SMILES for methyl 4-hydroxy-3-methylbenzoate is COC(=O)c1ccc(O)c(C)c1.
What is the InChIKey of methyl 4-hydroxy-3-methylbenzoate?
The InChIKey is QBMHMOKIFSCFCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-6-5-7(9(11)12-2)3-4-8(6)10/h3-5,10H,1-2H3.
What are the key properties of methyl 4-hydroxy-3-methylbenzoate?
methyl 4-hydroxy-3-methylbenzoate has a molecular weight of 166.18 g/mol, XLogP of 1.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-3-methylbenzoate is sourced from PubChem (CID 11240684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).