2-(2-chloro-4-ethylphenoxy)pentanoic acid

C13H17ClO3 — CID 54793091

IUPAC2-(2-chloro-4-ethylphenoxy)pentanoic acid
SMILESCCCC(Oc1ccc(CC)cc1Cl)C(=O)O
InChIInChI=1S/C13H17ClO3/c1-3-5-12(13(15)16)17-11-7-6-9(4-2)8-10(11)14/h6-8,12H,3-5H2,1-2H3,(H,15,16)
InChIKeyNVCKPICKDNOPAP-UHFFFAOYSA-N
MW256.73 g/mol
LogP3.53
Rot. Bonds6

About 2-(2-chloro-4-ethylphenoxy)pentanoic acid

2-(2-chloro-4-ethylphenoxy)pentanoic acid (PubChem CID 54793091) has the molecular formula C13H17ClO3 and a molecular weight of 256.73 g/mol. Its IUPAC name is 2-(2-chloro-4-ethylphenoxy)pentanoic acid.

Molecular Properties

Compound Name2-(2-chloro-4-ethylphenoxy)pentanoic acid
PubChem CID54793091
Molecular FormulaC13H17ClO3
Molecular Weight256.73 g/mol
Exact Mass256.09
IUPAC Name2-(2-chloro-4-ethylphenoxy)pentanoic acid
SMILESCCCC(Oc1ccc(CC)cc1Cl)C(=O)O
InChIInChI=1S/C13H17ClO3/c1-3-5-12(13(15)16)17-11-7-6-9(4-2)8-10(11)14/h6-8,12H,3-5H2,1-2H3,(H,15,16)
InChIKeyNVCKPICKDNOPAP-UHFFFAOYSA-N
XLogP3.53
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.73
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-chloro-4-(propylaminomethyl)phenoxy]pentanoic acid
CID 83037948
2-[4-(2-aminoethyl)-2-chlorophenoxy]butanoic acid
CID 64661993
2-[2-chloro-4-(propylaminomethyl)phenoxy]butanoic acid
CID 64669712
2-(2-acetyl-4-chlorophenoxy)pentanoic acid
CID 83040836
2-(2-chloro-4-phenylphenoxy)hexanoic acid
CID 54793131
ethyl 2-(4-amino-2-chlorophenoxy)pentanoate
CID 83034701
3-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropanoic acid
CID 83549965
2-[2-chloro-4-[(2-methylpropylamino)methyl]phenoxy]butanoic acid
CID 64667928
2-(2-ethylphenoxy)pentanoic acid
CID 83038631
2-(2-chloro-4-ethylphenoxy)propanehydrazide
CID 54793011
2-[2-(aminomethyl)-3-chlorophenoxy]pentanoic acid
CID 83036006
3-(3-chloro-4-methoxyphenyl)-2-(2-chlorophenoxy)propanoic acid
CID 133241239

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-ethylphenoxy)pentanoic acid?
The IUPAC name of 2-(2-chloro-4-ethylphenoxy)pentanoic acid (CID 54793091) is 2-(2-chloro-4-ethylphenoxy)pentanoic acid.
What is the SMILES notation for 2-(2-chloro-4-ethylphenoxy)pentanoic acid?
The canonical SMILES for 2-(2-chloro-4-ethylphenoxy)pentanoic acid is CCCC(Oc1ccc(CC)cc1Cl)C(=O)O.
What is the InChIKey of 2-(2-chloro-4-ethylphenoxy)pentanoic acid?
The InChIKey is NVCKPICKDNOPAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClO3/c1-3-5-12(13(15)16)17-11-7-6-9(4-2)8-10(11)14/h6-8,12H,3-5H2,1-2H3,(H,15,16).
What are the key properties of 2-(2-chloro-4-ethylphenoxy)pentanoic acid?
2-(2-chloro-4-ethylphenoxy)pentanoic acid has a molecular weight of 256.73 g/mol, XLogP of 3.53, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-ethylphenoxy)pentanoic acid is sourced from PubChem (CID 54793091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).