methyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate

C18H19FO4 — CID 102273480

IUPACmethyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate
SMILESCCc1c(C)c(F)c(-c2ccccc2OC)c(C(=O)OC)c1O
InChIInChI=1S/C18H19FO4/c1-5-11-10(2)16(19)14(15(17(11)20)18(21)23-4)12-8-6-7-9-13(12)22-3/h6-9,20H,5H2,1-4H3
InChIKeyWTTGNYKNCZLKNA-UHFFFAOYSA-N
MW318.34 g/mol
LogP3.86
Rot. Bonds4

About methyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate

methyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate (PubChem CID 102273480) has the molecular formula C18H19FO4 and a molecular weight of 318.34 g/mol. Its IUPAC name is methyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate
PubChem CID102273480
Molecular FormulaC18H19FO4
Molecular Weight318.34 g/mol
Exact Mass318.13
IUPAC Namemethyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate
SMILESCCc1c(C)c(F)c(-c2ccccc2OC)c(C(=O)OC)c1O
InChIInChI=1S/C18H19FO4/c1-5-11-10(2)16(19)14(15(17(11)20)18(21)23-4)12-8-6-7-9-13(12)22-3/h6-9,20H,5H2,1-4H3
InChIKeyWTTGNYKNCZLKNA-UHFFFAOYSA-N
XLogP3.86
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-fluoro-2-hydroxy-3,4-dimethyl-6-naphthalen-1-ylbenzoate
CID 24786853
ethyl 5-ethyl-3-fluoro-2-(4-fluorophenyl)-6-hydroxy-4-methylbenzoate
CID 24786852
methyl 3-fluoro-6-hydroxy-4-methyl-2-naphthalen-1-ylbenzoate
CID 24786970
ethyl 2-amino-5-(2-methoxyphenyl)-4-methylthiophene-3-carboxylate
CID 10565518
diethyl 5-formyl-4-(2-methoxyphenyl)furan-2,3-dicarboxylate
CID 101470287
methyl 3,6-dimethoxy-2-methylbenzoate
CID 10536412
2-amino-N,5-diethyl-4-(2-methoxyphenyl)thiophene-3-carboxamide
CID 82056852
methyl 2-amino-3-ethyl-6-hydroxy-5-methoxybenzoate
CID 84790003
methyl 2-(2-methoxyphenyl)-1H-pyrrole-3-carboxylate
CID 10922361
ethane;methyl 2-methoxybenzoate
CID 178037044
2,3-difluoro-1,4-bis(2-methoxyphenyl)benzene
CID 58004087
methyl 2-(2-methoxyphenyl)-5-methylbenzoate
CID 11844440

Frequently Asked Questions

What is the IUPAC name of methyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate?
The IUPAC name of methyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate (CID 102273480) is methyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate.
What is the SMILES notation for methyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate?
The canonical SMILES for methyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate is CCc1c(C)c(F)c(-c2ccccc2OC)c(C(=O)OC)c1O.
What is the InChIKey of methyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate?
The InChIKey is WTTGNYKNCZLKNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO4/c1-5-11-10(2)16(19)14(15(17(11)20)18(21)23-4)12-8-6-7-9-13(12)22-3/h6-9,20H,5H2,1-4H3.
What are the key properties of methyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate?
methyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate has a molecular weight of 318.34 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-ethyl-5-fluoro-2-hydroxy-6-(2-methoxyphenyl)-4-methylbenzoate is sourced from PubChem (CID 102273480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).