[(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate

C16H21FO3 — CID 70344803

IUPAC[(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate
SMILESCCOc1ccc(C(C)(C)/C=C(\F)COC(C)=O)cc1
InChIInChI=1S/C16H21FO3/c1-5-19-15-8-6-13(7-9-15)16(3,4)10-14(17)11-20-12(2)18/h6-10H,5,11H2,1-4H3/b14-10-
InChIKeySGWLLHXNRGNUPJ-UVTDQMKNSA-N
MW280.34 g/mol
LogP3.78
Rot. Bonds6

About [(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate

[(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate (PubChem CID 70344803) has the molecular formula C16H21FO3 and a molecular weight of 280.34 g/mol. Its IUPAC name is [(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate.

Molecular Properties

Compound Name[(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate
PubChem CID70344803
Molecular FormulaC16H21FO3
Molecular Weight280.34 g/mol
Exact Mass280.15
IUPAC Name[(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate
SMILESCCOc1ccc(C(C)(C)/C=C(\F)COC(C)=O)cc1
InChIInChI=1S/C16H21FO3/c1-5-19-15-8-6-13(7-9-15)16(3,4)10-14(17)11-20-12(2)18/h6-10H,5,11H2,1-4H3/b14-10-
InChIKeySGWLLHXNRGNUPJ-UVTDQMKNSA-N
XLogP3.78
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[3-acetyloxy-2,3-bis(4-ethoxyphenyl)butan-2-yl] acetate
CID 139891574
2-(4-ethoxyphenyl)propan-2-yl acetate
CID 129179659
acetic acid;2-(4-ethoxyphenyl)-2-methylpropan-1-ol
CID 175113858
ethyl 2-(4-ethoxyphenyl)-2,2-difluoroacetate
CID 62395381
ethyl 3-(4-ethoxyphenyl)-3-hydroxybutanoate
CID 55071355
1-(4-ethoxyphenoxy)-3,3-dimethylbutan-2-one
CID 43411658
2-ethoxy-2-(4-ethoxyphenyl)propanoic acid
CID 114990539
2-[4-(2-hydroxypropan-2-yl)phenoxy]acetamide
CID 177146694
2-(4-ethoxyphenyl)-1,1-difluoropropan-2-ol
CID 80604410
ethyl 2-[4-(1,1,1-trifluoro-2-methylpropan-2-yl)phenoxy]acetate
CID 86604944
[3-acetyloxy-2,3-bis(4-butoxyphenyl)butan-2-yl] acetate
CID 139891609
1-(4-tert-butylphenyl)-3-(4-ethoxyphenyl)urea
CID 108874354

Frequently Asked Questions

What is the IUPAC name of [(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate?
The IUPAC name of [(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate (CID 70344803) is [(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate.
What is the SMILES notation for [(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate?
The canonical SMILES for [(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate is CCOc1ccc(C(C)(C)/C=C(\F)COC(C)=O)cc1.
What is the InChIKey of [(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate?
The InChIKey is SGWLLHXNRGNUPJ-UVTDQMKNSA-N. The full InChI is InChI=1S/C16H21FO3/c1-5-19-15-8-6-13(7-9-15)16(3,4)10-14(17)11-20-12(2)18/h6-10H,5,11H2,1-4H3/b14-10-.
What are the key properties of [(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate?
[(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate has a molecular weight of 280.34 g/mol, XLogP of 3.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-4-(4-ethoxyphenyl)-2-fluoro-4-methylpent-2-enyl] acetate is sourced from PubChem (CID 70344803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).