2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid

C14H15ClO3 — CID 138686161

IUPAC2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(Cl)cc1C1=CCCC1)C(=O)O
InChIInChI=1S/C14H15ClO3/c1-9(14(16)17)18-13-7-6-11(15)8-12(13)10-4-2-3-5-10/h4,6-9H,2-3,5H2,1H3,(H,16,17)
InChIKeyCFOOBILHXRBEKE-UHFFFAOYSA-N
MW266.72 g/mol
LogP3.76
Rot. Bonds4

About 2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid

2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid (PubChem CID 138686161) has the molecular formula C14H15ClO3 and a molecular weight of 266.72 g/mol. Its IUPAC name is 2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid.

Molecular Properties

Compound Name2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid
PubChem CID138686161
Molecular FormulaC14H15ClO3
Molecular Weight266.72 g/mol
Exact Mass266.07
IUPAC Name2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid
SMILESCC(Oc1ccc(Cl)cc1C1=CCCC1)C(=O)O
InChIInChI=1S/C14H15ClO3/c1-9(14(16)17)18-13-7-6-11(15)8-12(13)10-4-2-3-5-10/h4,6-9H,2-3,5H2,1H3,(H,16,17)
InChIKeyCFOOBILHXRBEKE-UHFFFAOYSA-N
XLogP3.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.72
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
(2S)-2-[4-chloro-2-(1,3-thiazol-2-yl)phenoxy]propanoic acid
CID 138684005
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
(2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid
CID 138686156
(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
CID 124566804
(2S)-2-[4-chloro-2-(4-morpholin-4-ylsulfonylphenyl)phenoxy]propanoic acid
CID 11750653
2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid
CID 67538273
(2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid
CID 138687037
(2S)-2-[4-chloro-2-[3-fluoro-4-(2-methylpropylcarbamoyl)phenyl]phenoxy]propanoic acid
CID 11646867

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid?
The IUPAC name of 2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid (CID 138686161) is 2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid.
What is the SMILES notation for 2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid?
The canonical SMILES for 2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid is CC(Oc1ccc(Cl)cc1C1=CCCC1)C(=O)O.
What is the InChIKey of 2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid?
The InChIKey is CFOOBILHXRBEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClO3/c1-9(14(16)17)18-13-7-6-11(15)8-12(13)10-4-2-3-5-10/h4,6-9H,2-3,5H2,1H3,(H,16,17).
What are the key properties of 2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid?
2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid has a molecular weight of 266.72 g/mol, XLogP of 3.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-2-(cyclopenten-1-yl)phenoxy]propanoic acid is sourced from PubChem (CID 138686161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).