ethane;2-(3-fluoro-4-methylphenoxy)acetic acid

C11H15FO3 — CID 155714293

IUPACethane;2-(3-fluoro-4-methylphenoxy)acetic acid
SMILESCC.Cc1ccc(OCC(=O)O)cc1F
InChIInChI=1S/C9H9FO3.C2H6/c1-6-2-3-7(4-8(6)10)13-5-9(11)12;1-2/h2-4H,5H2,1H3,(H,11,12);1-2H3
InChIKeyRSTBOJKHVIOJME-UHFFFAOYSA-N
MW214.24 g/mol
LogP2.62
Rot. Bonds3

About ethane;2-(3-fluoro-4-methylphenoxy)acetic acid

ethane;2-(3-fluoro-4-methylphenoxy)acetic acid (PubChem CID 155714293) has the molecular formula C11H15FO3 and a molecular weight of 214.24 g/mol. Its IUPAC name is ethane;2-(3-fluoro-4-methylphenoxy)acetic acid.

Molecular Properties

Compound Nameethane;2-(3-fluoro-4-methylphenoxy)acetic acid
PubChem CID155714293
Molecular FormulaC11H15FO3
Molecular Weight214.24 g/mol
Exact Mass214.10
IUPAC Nameethane;2-(3-fluoro-4-methylphenoxy)acetic acid
SMILESCC.Cc1ccc(OCC(=O)O)cc1F
InChIInChI=1S/C9H9FO3.C2H6/c1-6-2-3-7(4-8(6)10)13-5-9(11)12;1-2/h2-4H,5H2,1H3,(H,11,12);1-2H3
InChIKeyRSTBOJKHVIOJME-UHFFFAOYSA-N
XLogP2.62
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107168344
2-(3-fluoro-4-methylphenoxy)-N,N-dimethylacetamide
CID 107171377
2-chloro-3-(3-fluoro-4-methylphenoxy)propanoic acid
CID 107171030
2-(4-fluoro-3-propan-2-ylphenoxy)acetic acid
CID 126565610
3-(3-fluoro-4-methylphenoxy)-2,2-dimethylpropanoic acid
CID 107168426
ethyl 2-[(3-fluoro-4-methylphenoxy)methyl]prop-2-enoate
CID 107168373
2-(3-fluoro-4-methylphenoxy)-N-methyl-N-propan-2-ylacetamide
CID 107171511
2-fluoro-4-(2-methoxyethoxy)-1-methylbenzene
CID 21363868
ethyl 5-(3-fluoro-4-methylphenoxy)-4-oxopentanoate
CID 107169765
2-(3-bromo-4-fluorophenoxy)acetic acid
CID 83231542
3-(3-fluoro-4-methylphenoxy)propan-1-ol
CID 107170036
6-(3-fluoro-4-methylphenoxy)hexan-3-one
CID 107169821

Frequently Asked Questions

What is the IUPAC name of ethane;2-(3-fluoro-4-methylphenoxy)acetic acid?
The IUPAC name of ethane;2-(3-fluoro-4-methylphenoxy)acetic acid (CID 155714293) is ethane;2-(3-fluoro-4-methylphenoxy)acetic acid.
What is the SMILES notation for ethane;2-(3-fluoro-4-methylphenoxy)acetic acid?
The canonical SMILES for ethane;2-(3-fluoro-4-methylphenoxy)acetic acid is CC.Cc1ccc(OCC(=O)O)cc1F.
What is the InChIKey of ethane;2-(3-fluoro-4-methylphenoxy)acetic acid?
The InChIKey is RSTBOJKHVIOJME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO3.C2H6/c1-6-2-3-7(4-8(6)10)13-5-9(11)12;1-2/h2-4H,5H2,1H3,(H,11,12);1-2H3.
What are the key properties of ethane;2-(3-fluoro-4-methylphenoxy)acetic acid?
ethane;2-(3-fluoro-4-methylphenoxy)acetic acid has a molecular weight of 214.24 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(3-fluoro-4-methylphenoxy)acetic acid is sourced from PubChem (CID 155714293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).