methyl 4-methoxybenzoate

C9H10O3 — CID 8499

IUPACmethyl 4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1
InChIInChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChIKeyDDIZAANNODHTRB-UHFFFAOYSA-N
MW166.18 g/mol
LogP1.48
Rot. Bonds2

About methyl 4-methoxybenzoate

methyl 4-methoxybenzoate (PubChem CID 8499) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is methyl 4-methoxybenzoate.

Molecular Properties

Compound Namemethyl 4-methoxybenzoate
PubChem CID8499
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Namemethyl 4-methoxybenzoate
SMILESCOC(=O)c1ccc(OC)cc1
InChIInChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3
InChIKeyDDIZAANNODHTRB-UHFFFAOYSA-N
XLogP1.48
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxybenzoate?
The IUPAC name of methyl 4-methoxybenzoate (CID 8499) is methyl 4-methoxybenzoate.
What is the SMILES notation for methyl 4-methoxybenzoate?
The canonical SMILES for methyl 4-methoxybenzoate is COC(=O)c1ccc(OC)cc1.
What is the InChIKey of methyl 4-methoxybenzoate?
The InChIKey is DDIZAANNODHTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c1-11-8-5-3-7(4-6-8)9(10)12-2/h3-6H,1-2H3.
What are the key properties of methyl 4-methoxybenzoate?
methyl 4-methoxybenzoate has a molecular weight of 166.18 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxybenzoate is sourced from PubChem (CID 8499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).