(4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate

C18H19FO5 — CID 78837074

IUPAC(4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate
SMILESCCOc1ccc(COC(=O)c2cc(F)ccc2OC)cc1OC
InChIInChI=1S/C18H19FO5/c1-4-23-16-7-5-12(9-17(16)22-3)11-24-18(20)14-10-13(19)6-8-15(14)21-2/h5-10H,4,11H2,1-3H3
InChIKeyFUQVZKLVRSPXFL-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.60
Rot. Bonds7

About (4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate

(4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate (PubChem CID 78837074) has the molecular formula C18H19FO5 and a molecular weight of 334.34 g/mol. Its IUPAC name is (4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate.

Molecular Properties

Compound Name(4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate
PubChem CID78837074
Molecular FormulaC18H19FO5
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name(4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate
SMILESCCOc1ccc(COC(=O)c2cc(F)ccc2OC)cc1OC
InChIInChI=1S/C18H19FO5/c1-4-23-16-7-5-12(9-17(16)22-3)11-24-18(20)14-10-13(19)6-8-15(14)21-2/h5-10H,4,11H2,1-3H3
InChIKeyFUQVZKLVRSPXFL-UHFFFAOYSA-N
XLogP3.60
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

propyl 5-fluoro-2-methoxybenzoate
CID 78846828
(3-methoxy-4-propoxyphenyl)methyl 2-fluorobenzoate
CID 78837283
(4-ethoxy-3-methoxyphenyl)methyl hexanoate
CID 78841902
(4-ethoxy-3-methoxyphenyl)methyl 2-methylpentanoate
CID 78790842
(3,4,5-trimethoxyphenyl)methyl 3,4-diethoxybenzoate
CID 9095626
(4-methylphenyl)methyl 2,4,5-trimethoxybenzoate
CID 2438152
(4-fluorophenyl)methyl 4-amino-2-methoxybenzoate
CID 104783988
(3-methoxy-4-propoxyphenyl)methyl 3-fluoropyridine-2-carboxylate
CID 167764210
ethyl 5-(hydroxymethyl)-2-methoxybenzoate
CID 131750236
(3-fluoro-4-methoxyphenyl)methyl 2,6-dimethoxybenzoate
CID 2629779
2-amino-1-(5-fluoro-2-methoxyphenyl)ethanone
CID 79002350
2-(4-ethyl-2-methoxyphenoxy)-5-fluorobenzenecarbothioamide
CID 107664916

Frequently Asked Questions

What is the IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate?
The IUPAC name of (4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate (CID 78837074) is (4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate.
What is the SMILES notation for (4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate?
The canonical SMILES for (4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate is CCOc1ccc(COC(=O)c2cc(F)ccc2OC)cc1OC.
What is the InChIKey of (4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate?
The InChIKey is FUQVZKLVRSPXFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO5/c1-4-23-16-7-5-12(9-17(16)22-3)11-24-18(20)14-10-13(19)6-8-15(14)21-2/h5-10H,4,11H2,1-3H3.
What are the key properties of (4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate?
(4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate has a molecular weight of 334.34 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethoxy-3-methoxyphenyl)methyl 5-fluoro-2-methoxybenzoate is sourced from PubChem (CID 78837074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).