(2-fluorophenyl)methyl 3,5-dimethoxybenzoate

C16H15FO4 — CID 23993945

IUPAC(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCc2ccccc2F)c1
InChIInChI=1S/C16H15FO4/c1-19-13-7-12(8-14(9-13)20-2)16(18)21-10-11-5-3-4-6-15(11)17/h3-9H,10H2,1-2H3
InChIKeyDVJLMHXUSOQNCB-UHFFFAOYSA-N
MW290.29 g/mol
LogP3.20
Rot. Bonds5

About (2-fluorophenyl)methyl 3,5-dimethoxybenzoate

(2-fluorophenyl)methyl 3,5-dimethoxybenzoate (PubChem CID 23993945) has the molecular formula C16H15FO4 and a molecular weight of 290.29 g/mol. Its IUPAC name is (2-fluorophenyl)methyl 3,5-dimethoxybenzoate.

Molecular Properties

Compound Name(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
PubChem CID23993945
Molecular FormulaC16H15FO4
Molecular Weight290.29 g/mol
Exact Mass290.10
IUPAC Name(2-fluorophenyl)methyl 3,5-dimethoxybenzoate
SMILESCOc1cc(OC)cc(C(=O)OCc2ccccc2F)c1
InChIInChI=1S/C16H15FO4/c1-19-13-7-12(8-14(9-13)20-2)16(18)21-10-11-5-3-4-6-15(11)17/h3-9H,10H2,1-2H3
InChIKeyDVJLMHXUSOQNCB-UHFFFAOYSA-N
XLogP3.20
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)methyl 3,5-dimethoxybenzoate?
The IUPAC name of (2-fluorophenyl)methyl 3,5-dimethoxybenzoate (CID 23993945) is (2-fluorophenyl)methyl 3,5-dimethoxybenzoate.
What is the SMILES notation for (2-fluorophenyl)methyl 3,5-dimethoxybenzoate?
The canonical SMILES for (2-fluorophenyl)methyl 3,5-dimethoxybenzoate is COc1cc(OC)cc(C(=O)OCc2ccccc2F)c1.
What is the InChIKey of (2-fluorophenyl)methyl 3,5-dimethoxybenzoate?
The InChIKey is DVJLMHXUSOQNCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO4/c1-19-13-7-12(8-14(9-13)20-2)16(18)21-10-11-5-3-4-6-15(11)17/h3-9H,10H2,1-2H3.
What are the key properties of (2-fluorophenyl)methyl 3,5-dimethoxybenzoate?
(2-fluorophenyl)methyl 3,5-dimethoxybenzoate has a molecular weight of 290.29 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)methyl 3,5-dimethoxybenzoate is sourced from PubChem (CID 23993945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).