(2R)-2-(2-chlorophenoxy)butanoate

C10H10ClO3- — CID 7022542

IUPAC(2R)-2-(2-chlorophenoxy)butanoate
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)[O-]
InChIInChI=1S/C10H11ClO3/c1-2-8(10(12)13)14-9-6-4-3-5-7(9)11/h3-6,8H,2H2,1H3,(H,12,13)/p-1/t8-/m1/s1
InChIKeyCOHQCOPPYROAKU-MRVPVSSYSA-M
MW213.64 g/mol
LogP1.25
Rot. Bonds4

About (2R)-2-(2-chlorophenoxy)butanoate

(2R)-2-(2-chlorophenoxy)butanoate (PubChem CID 7022542) has the molecular formula C10H10ClO3- and a molecular weight of 213.64 g/mol. Its IUPAC name is (2R)-2-(2-chlorophenoxy)butanoate.

Molecular Properties

Compound Name(2R)-2-(2-chlorophenoxy)butanoate
PubChem CID7022542
Molecular FormulaC10H10ClO3-
Molecular Weight213.64 g/mol
Exact Mass213.03
IUPAC Name(2R)-2-(2-chlorophenoxy)butanoate
SMILESCC[C@@H](Oc1ccccc1Cl)C(=O)[O-]
InChIInChI=1S/C10H11ClO3/c1-2-8(10(12)13)14-9-6-4-3-5-7(9)11/h3-6,8H,2H2,1H3,(H,12,13)/p-1/t8-/m1/s1
InChIKeyCOHQCOPPYROAKU-MRVPVSSYSA-M
XLogP1.25
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.64
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-chlorophenoxy)butanoate
CID 7268784
2-(2-chlorophenoxy)butanoyl chloride
CID 13239462
(2R)-N-[(2S)-butan-2-yl]-2-(2-chlorophenoxy)butanamide
CID 38013268
2-(2-chlorophenoxy)propanedioate
CID 19095840
(2S)-N,N-dibenzyl-2-(2-chlorophenoxy)butanamide
CID 28575103
4-[2-(2-chlorophenoxy)butanoylamino]butanoic acid
CID 119352786
3-[2-(2-chlorophenoxy)butanoyl-methylamino]propanoic acid
CID 119362696
3-(2-chlorophenoxy)pentanoic acid
CID 114990652
2-(2-chlorophenoxy)-N-[2-(2-chlorophenoxy)ethyl]butanamide
CID 133239938
(2S)-3-amino-2-(2-chlorophenoxy)propanoic acid
CID 16730463
2-(2-chlorophenoxy)-N-(3-propan-2-yloxypropyl)butanamide
CID 43885641
(2R)-2-(2-chlorophenoxy)-N-(2,4,5-trichlorophenyl)butanamide
CID 28573433

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-chlorophenoxy)butanoate?
The IUPAC name of (2R)-2-(2-chlorophenoxy)butanoate (CID 7022542) is (2R)-2-(2-chlorophenoxy)butanoate.
What is the SMILES notation for (2R)-2-(2-chlorophenoxy)butanoate?
The canonical SMILES for (2R)-2-(2-chlorophenoxy)butanoate is CC[C@@H](Oc1ccccc1Cl)C(=O)[O-].
What is the InChIKey of (2R)-2-(2-chlorophenoxy)butanoate?
The InChIKey is COHQCOPPYROAKU-MRVPVSSYSA-M. The full InChI is InChI=1S/C10H11ClO3/c1-2-8(10(12)13)14-9-6-4-3-5-7(9)11/h3-6,8H,2H2,1H3,(H,12,13)/p-1/t8-/m1/s1.
What are the key properties of (2R)-2-(2-chlorophenoxy)butanoate?
(2R)-2-(2-chlorophenoxy)butanoate has a molecular weight of 213.64 g/mol, XLogP of 1.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-chlorophenoxy)butanoate is sourced from PubChem (CID 7022542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).