5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid

C14H17ClO4 — CID 24838451

IUPAC5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid
SMILESCCC(OC(=O)CCCC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClO4/c1-2-12(10-6-8-11(15)9-7-10)19-14(18)5-3-4-13(16)17/h6-9,12H,2-5H2,1H3,(H,16,17)
InChIKeyLBIWNRQWQRDGHG-UHFFFAOYSA-N
MW284.74 g/mol
LogP3.59
Rot. Bonds7

About 5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid

5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid (PubChem CID 24838451) has the molecular formula C14H17ClO4 and a molecular weight of 284.74 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid
PubChem CID24838451
Molecular FormulaC14H17ClO4
Molecular Weight284.74 g/mol
Exact Mass284.08
IUPAC Name5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid
SMILESCCC(OC(=O)CCCC(=O)O)c1ccc(Cl)cc1
InChIInChI=1S/C14H17ClO4/c1-2-12(10-6-8-11(15)9-7-10)19-14(18)5-3-4-13(16)17/h6-9,12H,2-5H2,1H3,(H,16,17)
InChIKeyLBIWNRQWQRDGHG-UHFFFAOYSA-N
XLogP3.59
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Benzenemethanol, 4-chloro-, 1-acetate
CID 79407
5-(4-Chlorophenyl)tetrahydrofuran-2(3H)-one
CID 86723
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CID 3039562
Succinic acid, p-chloro-alpha-isopentylbenzyl ester
CID 24846214
Succinic acid, p-chloro-alpha-pentylbenzyl ester
CID 24846215
(1S,5R,7Z,10R,13S)-5-(4-chlorophenyl)-13-ethoxy-4,14-dioxabicyclo[8.3.1]tetradeca-7,11-dien-3-one
CID 73347533
[(1R)-1-(4-chlorophenyl)propyl] acetate
CID 11206641
[(1R)-1-(3-chlorophenyl)propyl] acetate
CID 44128246
1-(4-Chlorophenyl)ethyl acetate
CID 303068
Methyl 2-[(4-chlorophenyl)(hydroxy)methyl]prop-2-enoate
CID 10376430
Ethyl 3-(4-chlorophenyl)-3-hydroxy-2-methylenepropanoate
CID 11032016
Methyl 2-(acetoxy(4-chlorophenyl)methyl)acrylate
CID 11129334

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid?
The IUPAC name of 5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid (CID 24838451) is 5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid.
What is the SMILES notation for 5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid?
The canonical SMILES for 5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid is CCC(OC(=O)CCCC(=O)O)c1ccc(Cl)cc1.
What is the InChIKey of 5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid?
The InChIKey is LBIWNRQWQRDGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClO4/c1-2-12(10-6-8-11(15)9-7-10)19-14(18)5-3-4-13(16)17/h6-9,12H,2-5H2,1H3,(H,16,17).
What are the key properties of 5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid?
5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid has a molecular weight of 284.74 g/mol, XLogP of 3.59, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)propoxy]-5-oxopentanoic acid is sourced from PubChem (CID 24838451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).