ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate

C18H19FO3 — CID 178032262

IUPACethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(C)c(OCc2ccccc2)c(F)c1
InChIInChI=1S/C18H19FO3/c1-3-21-17(20)11-15-9-13(2)18(16(19)10-15)22-12-14-7-5-4-6-8-14/h4-10H,3,11-12H2,1-2H3
InChIKeyZQEALQGECNMZRU-UHFFFAOYSA-N
MW302.35 g/mol
LogP3.82
Rot. Bonds6

About ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate

ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate (PubChem CID 178032262) has the molecular formula C18H19FO3 and a molecular weight of 302.35 g/mol. Its IUPAC name is ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate
PubChem CID178032262
Molecular FormulaC18H19FO3
Molecular Weight302.35 g/mol
Exact Mass302.13
IUPAC Nameethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(C)c(OCc2ccccc2)c(F)c1
InChIInChI=1S/C18H19FO3/c1-3-21-17(20)11-15-9-13(2)18(16(19)10-15)22-12-14-7-5-4-6-8-14/h4-10H,3,11-12H2,1-2H3
InChIKeyZQEALQGECNMZRU-UHFFFAOYSA-N
XLogP3.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.35
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-(3-fluoro-4-methoxy-5-methylphenyl)acetate
CID 171008666
1-[(3-fluoro-5-methyl-4-phenylmethoxyphenyl)methyl]cyclopropan-1-amine
CID 117459780
ethyl 3,5-difluoro-4-phenylmethoxybenzoate
CID 165353841
3-amino-1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)propan-1-one
CID 117463633
1-fluoro-3,5-dimethyl-2-phenylmethoxybenzene
CID 90166919
ethyl 2-phenylacetate
CID 7590
ethyl 2-(4-butoxy-3,5-difluorophenyl)acetate
CID 70827899
ethyl 2-phenylacetate;hydrate
CID 141257001
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)cyclopropane-1-carboxylic acid
CID 117484065
ethyl 2-[2-(3,5-difluoro-4-phenylmethoxyphenyl)cyclopropyl]acetate
CID 59455542
1-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)ethanamine
CID 117402181
(E)-3-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)prop-2-en-1-amine
CID 117431293

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate?
The IUPAC name of ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate (CID 178032262) is ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate?
The canonical SMILES for ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate is CCOC(=O)Cc1cc(C)c(OCc2ccccc2)c(F)c1.
What is the InChIKey of ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate?
The InChIKey is ZQEALQGECNMZRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FO3/c1-3-21-17(20)11-15-9-13(2)18(16(19)10-15)22-12-14-7-5-4-6-8-14/h4-10H,3,11-12H2,1-2H3.
What are the key properties of ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate?
ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate has a molecular weight of 302.35 g/mol, XLogP of 3.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-fluoro-5-methyl-4-phenylmethoxyphenyl)acetate is sourced from PubChem (CID 178032262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).