methyl 4-(methoxymethyl)benzoate

C10H12O3 — CID 15247548

IUPACmethyl 4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H12O3/c1-12-7-8-3-5-9(6-4-8)10(11)13-2/h3-6H,7H2,1-2H3
InChIKeySSICQFZFHOPSCI-UHFFFAOYSA-N
MW180.20 g/mol
LogP1.62
Rot. Bonds3

About methyl 4-(methoxymethyl)benzoate

methyl 4-(methoxymethyl)benzoate (PubChem CID 15247548) has the molecular formula C10H12O3 and a molecular weight of 180.20 g/mol. Its IUPAC name is methyl 4-(methoxymethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(methoxymethyl)benzoate
PubChem CID15247548
Molecular FormulaC10H12O3
Molecular Weight180.20 g/mol
Exact Mass180.08
IUPAC Namemethyl 4-(methoxymethyl)benzoate
SMILESCOCc1ccc(C(=O)OC)cc1
InChIInChI=1S/C10H12O3/c1-12-7-8-3-5-9(6-4-8)10(11)13-2/h3-6H,7H2,1-2H3
InChIKeySSICQFZFHOPSCI-UHFFFAOYSA-N
XLogP1.62
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-(methoxymethyl)benzoate?
The IUPAC name of methyl 4-(methoxymethyl)benzoate (CID 15247548) is methyl 4-(methoxymethyl)benzoate.
What is the SMILES notation for methyl 4-(methoxymethyl)benzoate?
The canonical SMILES for methyl 4-(methoxymethyl)benzoate is COCc1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-(methoxymethyl)benzoate?
The InChIKey is SSICQFZFHOPSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O3/c1-12-7-8-3-5-9(6-4-8)10(11)13-2/h3-6H,7H2,1-2H3.
What are the key properties of methyl 4-(methoxymethyl)benzoate?
methyl 4-(methoxymethyl)benzoate has a molecular weight of 180.20 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(methoxymethyl)benzoate is sourced from PubChem (CID 15247548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).