3-(2-chlorophenoxy)pentanoic acid

C11H13ClO3 — CID 114990652

IUPAC3-(2-chlorophenoxy)pentanoic acid
SMILESCCC(CC(=O)O)Oc1ccccc1Cl
InChIInChI=1S/C11H13ClO3/c1-2-8(7-11(13)14)15-10-6-4-3-5-9(10)12/h3-6,8H,2,7H2,1H3,(H,13,14)
InChIKeyCDOBQRLJDYAEDW-UHFFFAOYSA-N
MW228.68 g/mol
LogP2.97
Rot. Bonds5

About 3-(2-chlorophenoxy)pentanoic acid

3-(2-chlorophenoxy)pentanoic acid (PubChem CID 114990652) has the molecular formula C11H13ClO3 and a molecular weight of 228.68 g/mol. Its IUPAC name is 3-(2-chlorophenoxy)pentanoic acid.

Molecular Properties

Compound Name3-(2-chlorophenoxy)pentanoic acid
PubChem CID114990652
Molecular FormulaC11H13ClO3
Molecular Weight228.68 g/mol
Exact Mass228.06
IUPAC Name3-(2-chlorophenoxy)pentanoic acid
SMILESCCC(CC(=O)O)Oc1ccccc1Cl
InChIInChI=1S/C11H13ClO3/c1-2-8(7-11(13)14)15-10-6-4-3-5-9(10)12/h3-6,8H,2,7H2,1H3,(H,13,14)
InChIKeyCDOBQRLJDYAEDW-UHFFFAOYSA-N
XLogP2.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-(2-chlorophenoxy)butan-1-amine
CID 94266424
(2S)-2-(2-chlorophenoxy)-N-[(1S)-1-phenylpropyl]propanamide
CID 93234576
(2R)-2-(2-chlorophenoxy)butanoate
CID 7022542
(2S)-2-(2-chlorophenoxy)butanoate
CID 7268784
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
2-amino-N-[2-(2-chlorophenoxy)butyl]-3-methylpentanamide
CID 119813247
4-[2-(2-chlorophenoxy)propanoylamino]-3-methoxybutanoic acid
CID 103152889
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
3-amino-N-[2-(2-chlorophenoxy)butyl]propanamide
CID 119340532
(2S,3S)-2-[2-(2-chlorophenoxy)propanoylamino]-3-methylpentanoic acid
CID 61137417
1-[(2S)-2-(2-chlorophenoxy)butyl]-3-[(2R)-2-hydroxypropyl]urea
CID 99836600

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenoxy)pentanoic acid?
The IUPAC name of 3-(2-chlorophenoxy)pentanoic acid (CID 114990652) is 3-(2-chlorophenoxy)pentanoic acid.
What is the SMILES notation for 3-(2-chlorophenoxy)pentanoic acid?
The canonical SMILES for 3-(2-chlorophenoxy)pentanoic acid is CCC(CC(=O)O)Oc1ccccc1Cl.
What is the InChIKey of 3-(2-chlorophenoxy)pentanoic acid?
The InChIKey is CDOBQRLJDYAEDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClO3/c1-2-8(7-11(13)14)15-10-6-4-3-5-9(10)12/h3-6,8H,2,7H2,1H3,(H,13,14).
What are the key properties of 3-(2-chlorophenoxy)pentanoic acid?
3-(2-chlorophenoxy)pentanoic acid has a molecular weight of 228.68 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenoxy)pentanoic acid is sourced from PubChem (CID 114990652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).