(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid

C17H17ClO3 — CID 100529696

IUPAC(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid
SMILESCCc1ccccc1C[C@@H](Oc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C17H17ClO3/c1-2-12-6-3-4-7-13(12)10-16(17(19)20)21-15-9-5-8-14(18)11-15/h3-9,11,16H,2,10H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyGAHBWFLSLAMTJZ-MRXNPFEDSA-N
MW304.77 g/mol
LogP3.98
Rot. Bonds6

About (2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid

(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid (PubChem CID 100529696) has the molecular formula C17H17ClO3 and a molecular weight of 304.77 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid
PubChem CID100529696
Molecular FormulaC17H17ClO3
Molecular Weight304.77 g/mol
Exact Mass304.09
IUPAC Name(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid
SMILESCCc1ccccc1C[C@@H](Oc1cccc(Cl)c1)C(=O)O
InChIInChI=1S/C17H17ClO3/c1-2-12-6-3-4-7-13(12)10-16(17(19)20)21-15-9-5-8-14(18)11-15/h3-9,11,16H,2,10H2,1H3,(H,19,20)/t16-/m1/s1
InChIKeyGAHBWFLSLAMTJZ-MRXNPFEDSA-N
XLogP3.98
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.77
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-(3-chlorophenoxy)-3-(2,3-dimethylphenyl)propanoic acid
CID 100525996
2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid
CID 133150429
(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120
2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241068
(2S)-2-(3-chlorophenoxy)-3-(2,4-dimethoxyphenyl)propanoic acid
CID 100545329
(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544750
(2R)-3-(5-chloro-2-methylphenyl)-2-(3-methylphenoxy)propanoic acid
CID 100537567
3-(2,4-dichlorophenyl)-2-phenoxypropanoic acid
CID 133245608
(2S)-3-(2-chlorophenyl)-2-phenoxypropanoic acid
CID 99646181
(2R)-2-(4-tert-butylphenoxy)-3-(2-ethylphenyl)propanoic acid
CID 100529756
(2S)-2-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528397
(2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535710

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid (CID 100529696) is (2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid is CCc1ccccc1C[C@@H](Oc1cccc(Cl)c1)C(=O)O.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid?
The InChIKey is GAHBWFLSLAMTJZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H17ClO3/c1-2-12-6-3-4-7-13(12)10-16(17(19)20)21-15-9-5-8-14(18)11-15/h3-9,11,16H,2,10H2,1H3,(H,19,20)/t16-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid?
(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid has a molecular weight of 304.77 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid is sourced from PubChem (CID 100529696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).