(2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid

C12H13ClO3 — CID 138686156

IUPAC(2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid
SMILESC[C@H](Oc1ccc(Cl)cc1C1CC1)C(=O)O
InChIInChI=1S/C12H13ClO3/c1-7(12(14)15)16-11-5-4-9(13)6-10(11)8-2-3-8/h4-8H,2-3H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyRHOUWXZQQABAAY-ZETCQYMHSA-N
MW240.69 g/mol
LogP3.07
Rot. Bonds4

About (2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid

(2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid (PubChem CID 138686156) has the molecular formula C12H13ClO3 and a molecular weight of 240.69 g/mol. Its IUPAC name is (2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid
PubChem CID138686156
Molecular FormulaC12H13ClO3
Molecular Weight240.69 g/mol
Exact Mass240.06
IUPAC Name(2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid
SMILESC[C@H](Oc1ccc(Cl)cc1C1CC1)C(=O)O
InChIInChI=1S/C12H13ClO3/c1-7(12(14)15)16-11-5-4-9(13)6-10(11)8-2-3-8/h4-8H,2-3H2,1H3,(H,14,15)/t7-/m0/s1
InChIKeyRHOUWXZQQABAAY-ZETCQYMHSA-N
XLogP3.07
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2,4-dichlorophenoxy)propanoic acid
CID 8427
(2S)-2-(2,5-dichlorophenoxy)propanoic acid
CID 41097405
2-(4-chloro-2-cyclopropyl-6-fluorophenoxy)propanoic acid
CID 138686178
azane;2-(2,4-dichlorophenoxy)propanoic acid
CID 173303839
azane;2-(4-chloro-2-methylphenoxy)propanoic acid
CID 13376687
(2S)-2-(4-bromo-2-cyclopropyl-5-fluorophenoxy)propanoic acid
CID 138687143
potassium;2-(4-chloro-2-methylphenoxy)propanoic acid;hydride
CID 173089242
(2R)-2-[5-chloro-2-(2,4-dichlorophenoxy)phenoxy]propanoic acid
CID 124566804
(2S)-2-[4-chloro-2-[(E)-2-fluoroethenyl]phenoxy]propanoic acid
CID 138687037
2-[2-(carbamoylamino)-4-chlorophenoxy]propanoic acid
CID 67538273
3-(4-chloro-2-cyclohexylphenoxy)-2-phenoxypropanoic acid
CID 57264075
2-(2,4,5-trichlorophenoxy)propanoic acid
CID 21473131

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid?
The IUPAC name of (2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid (CID 138686156) is (2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid.
What is the SMILES notation for (2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid?
The canonical SMILES for (2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid is C[C@H](Oc1ccc(Cl)cc1C1CC1)C(=O)O.
What is the InChIKey of (2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid?
The InChIKey is RHOUWXZQQABAAY-ZETCQYMHSA-N. The full InChI is InChI=1S/C12H13ClO3/c1-7(12(14)15)16-11-5-4-9(13)6-10(11)8-2-3-8/h4-8H,2-3H2,1H3,(H,14,15)/t7-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid?
(2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid has a molecular weight of 240.69 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-2-cyclopropylphenoxy)propanoic acid is sourced from PubChem (CID 138686156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).