benzyl 2-methoxybenzoate

C15H14O3 — CID 584904

IUPACbenzyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1ccccc1
InChIInChI=1S/C15H14O3/c1-17-14-10-6-5-9-13(14)15(16)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyQEQSUVJMTPTKRW-UHFFFAOYSA-N
MW242.27 g/mol
LogP3.05
Rot. Bonds4

About benzyl 2-methoxybenzoate

benzyl 2-methoxybenzoate (PubChem CID 584904) has the molecular formula C15H14O3 and a molecular weight of 242.27 g/mol. Its IUPAC name is benzyl 2-methoxybenzoate.

Molecular Properties

Compound Namebenzyl 2-methoxybenzoate
PubChem CID584904
Molecular FormulaC15H14O3
Molecular Weight242.27 g/mol
Exact Mass242.09
IUPAC Namebenzyl 2-methoxybenzoate
SMILESCOc1ccccc1C(=O)OCc1ccccc1
InChIInChI=1S/C15H14O3/c1-17-14-10-6-5-9-13(14)15(16)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChIKeyQEQSUVJMTPTKRW-UHFFFAOYSA-N
XLogP3.05
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-methoxybenzoate?
The IUPAC name of benzyl 2-methoxybenzoate (CID 584904) is benzyl 2-methoxybenzoate.
What is the SMILES notation for benzyl 2-methoxybenzoate?
The canonical SMILES for benzyl 2-methoxybenzoate is COc1ccccc1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl 2-methoxybenzoate?
The InChIKey is QEQSUVJMTPTKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14O3/c1-17-14-10-6-5-9-13(14)15(16)18-11-12-7-3-2-4-8-12/h2-10H,11H2,1H3.
What are the key properties of benzyl 2-methoxybenzoate?
benzyl 2-methoxybenzoate has a molecular weight of 242.27 g/mol, XLogP of 3.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-methoxybenzoate is sourced from PubChem (CID 584904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).