2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid

C12H15FO4 — CID 117357480

IUPAC2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid
SMILESCOc1cc(F)c(CC(=O)O)cc1OC(C)C
InChIInChI=1S/C12H15FO4/c1-7(2)17-11-4-8(5-12(14)15)9(13)6-10(11)16-3/h4,6-7H,5H2,1-3H3,(H,14,15)
InChIKeyLHJMSVIWGBYYMJ-UHFFFAOYSA-N
MW242.25 g/mol
LogP2.25
Rot. Bonds5

About 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid

2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid (PubChem CID 117357480) has the molecular formula C12H15FO4 and a molecular weight of 242.25 g/mol. Its IUPAC name is 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid.

Molecular Properties

Compound Name2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid
PubChem CID117357480
Molecular FormulaC12H15FO4
Molecular Weight242.25 g/mol
Exact Mass242.10
IUPAC Name2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid
SMILESCOc1cc(F)c(CC(=O)O)cc1OC(C)C
InChIInChI=1S/C12H15FO4/c1-7(2)17-11-4-8(5-12(14)15)9(13)6-10(11)16-3/h4,6-7H,5H2,1-3H3,(H,14,15)
InChIKeyLHJMSVIWGBYYMJ-UHFFFAOYSA-N
XLogP2.25
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117393928
2-(5-chloro-2-fluoro-4-methoxyphenyl)acetic acid
CID 56840543
2-[2-fluoro-4-methoxy-5-(methoxymethyl)phenyl]acetic acid
CID 117328325
3-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)propanoic acid
CID 117434580
methyl 2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-2-hydroxyacetate
CID 117433363
1-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-one
CID 117395306
3-(2-chloro-4-methoxy-5-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 117462501
2-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)propan-2-ol
CID 117357817
2-[4-chloro-2,5-di(propan-2-yloxy)phenyl]acetic acid
CID 82267978
3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117475826
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)propan-2-amine
CID 117355507
4-amino-4-(2-chloro-5-methoxy-4-propan-2-yloxyphenyl)butanoic acid
CID 117485873

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid?
The IUPAC name of 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid (CID 117357480) is 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid.
What is the SMILES notation for 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid?
The canonical SMILES for 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid is COc1cc(F)c(CC(=O)O)cc1OC(C)C.
What is the InChIKey of 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid?
The InChIKey is LHJMSVIWGBYYMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO4/c1-7(2)17-11-4-8(5-12(14)15)9(13)6-10(11)16-3/h4,6-7H,5H2,1-3H3,(H,14,15).
What are the key properties of 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid?
2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid has a molecular weight of 242.25 g/mol, XLogP of 2.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-4-methoxy-5-propan-2-yloxyphenyl)acetic acid is sourced from PubChem (CID 117357480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).