(2-ethyl-3-fluoro-4-methoxyphenyl) acetate

C11H13FO3 — CID 18466568

IUPAC(2-ethyl-3-fluoro-4-methoxyphenyl) acetate
SMILESCCc1c(OC(C)=O)ccc(OC)c1F
InChIInChI=1S/C11H13FO3/c1-4-8-9(15-7(2)13)5-6-10(14-3)11(8)12/h5-6H,4H2,1-3H3
InChIKeySNULLPLHHBQTOD-UHFFFAOYSA-N
MW212.22 g/mol
LogP2.32
Rot. Bonds3

About (2-ethyl-3-fluoro-4-methoxyphenyl) acetate

(2-ethyl-3-fluoro-4-methoxyphenyl) acetate (PubChem CID 18466568) has the molecular formula C11H13FO3 and a molecular weight of 212.22 g/mol. Its IUPAC name is (2-ethyl-3-fluoro-4-methoxyphenyl) acetate.

Molecular Properties

Compound Name(2-ethyl-3-fluoro-4-methoxyphenyl) acetate
PubChem CID18466568
Molecular FormulaC11H13FO3
Molecular Weight212.22 g/mol
Exact Mass212.08
IUPAC Name(2-ethyl-3-fluoro-4-methoxyphenyl) acetate
SMILESCCc1c(OC(C)=O)ccc(OC)c1F
InChIInChI=1S/C11H13FO3/c1-4-8-9(15-7(2)13)5-6-10(14-3)11(8)12/h5-6H,4H2,1-3H3
InChIKeySNULLPLHHBQTOD-UHFFFAOYSA-N
XLogP2.32
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

1-chloro-2-ethyl-3-fluoro-4-methoxybenzene
CID 118261733
(4-ethyl-2-methoxyphenyl) acetate;propane
CID 160615709
(2-acetyloxy-3,4-diethylphenyl) acetate
CID 18540629
ethyl (E)-3-(2-ethyl-3-fluoro-4-methoxyphenyl)prop-2-enoate
CID 58566362
[2-ethyl-4-(3-ethyl-4-methoxyphenoxy)phenyl] acetate
CID 59680629
(2,4-dimethoxy-3-methylphenyl) acetate
CID 10899866
2-ethyl-3,6-dimethoxybenzoic acid
CID 84677566
(2-ethyl-3-propan-2-yloxyphenyl) acetate
CID 151326278
2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid
CID 171034052
1-[3-ethyl-4-methoxy-2-(trifluoromethyl)phenyl]ethanone
CID 171033843
[2-(aminomethyl)-4-fluorophenyl] acetate
CID 151844429
(4-chloro-2-methoxyphenyl) acetate
CID 45073631

Frequently Asked Questions

What is the IUPAC name of (2-ethyl-3-fluoro-4-methoxyphenyl) acetate?
The IUPAC name of (2-ethyl-3-fluoro-4-methoxyphenyl) acetate (CID 18466568) is (2-ethyl-3-fluoro-4-methoxyphenyl) acetate.
What is the SMILES notation for (2-ethyl-3-fluoro-4-methoxyphenyl) acetate?
The canonical SMILES for (2-ethyl-3-fluoro-4-methoxyphenyl) acetate is CCc1c(OC(C)=O)ccc(OC)c1F.
What is the InChIKey of (2-ethyl-3-fluoro-4-methoxyphenyl) acetate?
The InChIKey is SNULLPLHHBQTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO3/c1-4-8-9(15-7(2)13)5-6-10(14-3)11(8)12/h5-6H,4H2,1-3H3.
What are the key properties of (2-ethyl-3-fluoro-4-methoxyphenyl) acetate?
(2-ethyl-3-fluoro-4-methoxyphenyl) acetate has a molecular weight of 212.22 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-3-fluoro-4-methoxyphenyl) acetate is sourced from PubChem (CID 18466568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).