(2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid

C15H12ClIO3 — CID 100535710

IUPAC(2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(I)cc1)Oc1cccc(Cl)c1
InChIInChI=1S/C15H12ClIO3/c16-11-2-1-3-13(9-11)20-14(15(18)19)8-10-4-6-12(17)7-5-10/h1-7,9,14H,8H2,(H,18,19)/t14-/m1/s1
InChIKeyQPHNUNGTGALYLW-CQSZACIVSA-N
MW402.62 g/mol
LogP4.02
Rot. Bonds5

About (2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid

(2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid (PubChem CID 100535710) has the molecular formula C15H12ClIO3 and a molecular weight of 402.62 g/mol. Its IUPAC name is (2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid.

Molecular Properties

Compound Name(2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
PubChem CID100535710
Molecular FormulaC15H12ClIO3
Molecular Weight402.62 g/mol
Exact Mass401.95
IUPAC Name(2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
SMILESO=C(O)[C@@H](Cc1ccc(I)cc1)Oc1cccc(Cl)c1
InChIInChI=1S/C15H12ClIO3/c16-11-2-1-3-13(9-11)20-14(15(18)19)8-10-4-6-12(17)7-5-10/h1-7,9,14H,8H2,(H,18,19)/t14-/m1/s1
InChIKeyQPHNUNGTGALYLW-CQSZACIVSA-N
XLogP4.02
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.62
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-(3-chlorophenoxy)-3-phenylpropanoic acid
CID 100524120
(2R)-2-(3-chlorophenoxy)-3-(4-phenoxyphenyl)propanoic acid
CID 100544750
(2S)-2-(4-chlorophenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535737
2-(3-chlorophenoxy)-3-(4-ethoxyphenyl)propanoic acid
CID 133241068
(2S)-2-(3-chlorophenoxy)-3-(3,4-dimethylphenyl)propanoic acid
CID 100528397
(2S)-3-(4-iodophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100535647
(2R)-2-(3-chlorophenoxy)-3-(2-ethylphenyl)propanoic acid
CID 100529696
(2S)-3-(3-chlorophenyl)-2-(4-methoxyphenoxy)propanoic acid
CID 100533934
(2R)-2-(4-tert-butylphenoxy)-3-(4-iodophenyl)propanoic acid
CID 100535777
(2R)-2-(3-chlorophenoxy)-3-(2,3-dimethylphenyl)propanoic acid
CID 100525996
(2R)-3-(3,5-dichlorophenyl)-2-(3-methylphenoxy)propanoic acid
CID 100540560
2-(3-chlorophenoxy)-3-(2,5-dimethylphenyl)propanoic acid
CID 133150429

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid?
The IUPAC name of (2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid (CID 100535710) is (2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid.
What is the SMILES notation for (2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid?
The canonical SMILES for (2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid is O=C(O)[C@@H](Cc1ccc(I)cc1)Oc1cccc(Cl)c1.
What is the InChIKey of (2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid?
The InChIKey is QPHNUNGTGALYLW-CQSZACIVSA-N. The full InChI is InChI=1S/C15H12ClIO3/c16-11-2-1-3-13(9-11)20-14(15(18)19)8-10-4-6-12(17)7-5-10/h1-7,9,14H,8H2,(H,18,19)/t14-/m1/s1.
What are the key properties of (2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid?
(2R)-2-(3-chlorophenoxy)-3-(4-iodophenyl)propanoic acid has a molecular weight of 402.62 g/mol, XLogP of 4.02, 5 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-(4-iodophenyl)propanoic acid is sourced from PubChem (CID 100535710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).