benzyl 2-(3-methoxyphenyl)acetate

C16H16O3 — CID 71663717

IUPACbenzyl 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCc2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-18-15-9-5-8-14(10-15)11-16(17)19-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3
InChIKeyFHPDXQCLTSOICQ-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.98
Rot. Bonds5

About benzyl 2-(3-methoxyphenyl)acetate

benzyl 2-(3-methoxyphenyl)acetate (PubChem CID 71663717) has the molecular formula C16H16O3 and a molecular weight of 256.30 g/mol. Its IUPAC name is benzyl 2-(3-methoxyphenyl)acetate.

Molecular Properties

Compound Namebenzyl 2-(3-methoxyphenyl)acetate
PubChem CID71663717
Molecular FormulaC16H16O3
Molecular Weight256.30 g/mol
Exact Mass256.11
IUPAC Namebenzyl 2-(3-methoxyphenyl)acetate
SMILESCOc1cccc(CC(=O)OCc2ccccc2)c1
InChIInChI=1S/C16H16O3/c1-18-15-9-5-8-14(10-15)11-16(17)19-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3
InChIKeyFHPDXQCLTSOICQ-UHFFFAOYSA-N
XLogP2.98
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-methoxyphenyl)acetate?
The IUPAC name of benzyl 2-(3-methoxyphenyl)acetate (CID 71663717) is benzyl 2-(3-methoxyphenyl)acetate.
What is the SMILES notation for benzyl 2-(3-methoxyphenyl)acetate?
The canonical SMILES for benzyl 2-(3-methoxyphenyl)acetate is COc1cccc(CC(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 2-(3-methoxyphenyl)acetate?
The InChIKey is FHPDXQCLTSOICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O3/c1-18-15-9-5-8-14(10-15)11-16(17)19-12-13-6-3-2-4-7-13/h2-10H,11-12H2,1H3.
What are the key properties of benzyl 2-(3-methoxyphenyl)acetate?
benzyl 2-(3-methoxyphenyl)acetate has a molecular weight of 256.30 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-methoxyphenyl)acetate is sourced from PubChem (CID 71663717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).