5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid

C14H17FO4 — CID 82268290

IUPAC5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid
SMILESCC(C)Oc1ccc(F)cc1C(=O)CCCC(=O)O
InChIInChI=1S/C14H17FO4/c1-9(2)19-13-7-6-10(15)8-11(13)12(16)4-3-5-14(17)18/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyDIGJJZOGHROOJF-UHFFFAOYSA-N
MW268.28 g/mol
LogP3.05
Rot. Bonds7

About 5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid

5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid (PubChem CID 82268290) has the molecular formula C14H17FO4 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid
PubChem CID82268290
Molecular FormulaC14H17FO4
Molecular Weight268.28 g/mol
Exact Mass268.11
IUPAC Name5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid
SMILESCC(C)Oc1ccc(F)cc1C(=O)CCCC(=O)O
InChIInChI=1S/C14H17FO4/c1-9(2)19-13-7-6-10(15)8-11(13)12(16)4-3-5-14(17)18/h6-9H,3-5H2,1-2H3,(H,17,18)
InChIKeyDIGJJZOGHROOJF-UHFFFAOYSA-N
XLogP3.05
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 5-fluoro-2-propan-2-yloxybenzoate
CID 82551429
5-(3-tert-butyl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
CID 82263813
1-(5-fluoro-2-methoxyphenyl)hexan-1-one
CID 43161521
5-(2-methyl-5-propan-2-yl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
CID 82266113
4-chloro-1-(2-ethoxy-5-fluorophenyl)butan-1-one
CID 82268262
5-(2-ethyl-4-propan-2-yloxyphenyl)-5-oxopentanoic acid
CID 82267403
1-(5-methyl-2-propan-2-yloxyphenyl)butan-1-one
CID 82052059
1-(5-chloro-2-propan-2-yloxyphenyl)butan-1-one
CID 82051215
5-(5-fluoro-2-methoxyphenyl)hexanoic acid
CID 112512385
4-(4-fluoro-2-methoxyphenyl)-4-oxobutanoic acid
CID 177184211
1-(5-fluoro-2-methoxyphenyl)-3-methylbutan-1-one
CID 43161544
8-(2-chloro-4-fluorophenyl)-8-oxooctanoic acid
CID 24727118

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid?
The IUPAC name of 5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid (CID 82268290) is 5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid.
What is the SMILES notation for 5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid?
The canonical SMILES for 5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid is CC(C)Oc1ccc(F)cc1C(=O)CCCC(=O)O.
What is the InChIKey of 5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid?
The InChIKey is DIGJJZOGHROOJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FO4/c1-9(2)19-13-7-6-10(15)8-11(13)12(16)4-3-5-14(17)18/h6-9H,3-5H2,1-2H3,(H,17,18).
What are the key properties of 5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid?
5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid has a molecular weight of 268.28 g/mol, XLogP of 3.05, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-propan-2-yloxyphenyl)-5-oxopentanoic acid is sourced from PubChem (CID 82268290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).