ethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

C19H23FO4 — CID 67126298

IUPACethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCCOC(=O)C(OC(C)(C)C)c1c(C)c(F)c2ccccc2c1O
InChIInChI=1S/C19H23FO4/c1-6-23-18(22)17(24-19(3,4)5)14-11(2)15(20)12-9-7-8-10-13(12)16(14)21/h7-10,17,21H,6H2,1-5H3
InChIKeyRCZRPZNTKHROFM-UHFFFAOYSA-N
MW334.39 g/mol
LogP4.41
Rot. Bonds4

About ethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate

ethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (PubChem CID 67126298) has the molecular formula C19H23FO4 and a molecular weight of 334.39 g/mol. Its IUPAC name is ethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.

Molecular Properties

Compound Nameethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
PubChem CID67126298
Molecular FormulaC19H23FO4
Molecular Weight334.39 g/mol
Exact Mass334.16
IUPAC Nameethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate
SMILESCCOC(=O)C(OC(C)(C)C)c1c(C)c(F)c2ccccc2c1O
InChIInChI=1S/C19H23FO4/c1-6-23-18(22)17(24-19(3,4)5)14-11(2)15(20)12-9-7-8-10-13(12)16(14)21/h7-10,17,21H,6H2,1-5H3
InChIKeyRCZRPZNTKHROFM-UHFFFAOYSA-N
XLogP4.41
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The IUPAC name of ethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate (CID 67126298) is ethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate.
What is the SMILES notation for ethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The canonical SMILES for ethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is CCOC(=O)C(OC(C)(C)C)c1c(C)c(F)c2ccccc2c1O.
What is the InChIKey of ethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
The InChIKey is RCZRPZNTKHROFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FO4/c1-6-23-18(22)17(24-19(3,4)5)14-11(2)15(20)12-9-7-8-10-13(12)16(14)21/h7-10,17,21H,6H2,1-5H3.
What are the key properties of ethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate?
ethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate has a molecular weight of 334.39 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(4-fluoro-1-hydroxy-3-methylnaphthalen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetate is sourced from PubChem (CID 67126298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).