2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid

C16H15IO4 — CID 63074837

IUPAC2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCCOc2ccccc2I)cc1
InChIInChI=1S/C16H15IO4/c17-14-3-1-2-4-15(14)21-10-9-20-13-7-5-12(6-8-13)11-16(18)19/h1-8H,9-11H2,(H,18,19)
InChIKeyJOMFRTUVUBVGMB-UHFFFAOYSA-N
MW398.20 g/mol
LogP3.38
Rot. Bonds7

About 2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid

2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid (PubChem CID 63074837) has the molecular formula C16H15IO4 and a molecular weight of 398.20 g/mol. Its IUPAC name is 2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid
PubChem CID63074837
Molecular FormulaC16H15IO4
Molecular Weight398.20 g/mol
Exact Mass398.00
IUPAC Name2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OCCOc2ccccc2I)cc1
InChIInChI=1S/C16H15IO4/c17-14-3-1-2-4-15(14)21-10-9-20-13-7-5-12(6-8-13)11-16(18)19/h1-8H,9-11H2,(H,18,19)
InChIKeyJOMFRTUVUBVGMB-UHFFFAOYSA-N
XLogP3.38
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.20
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(2-chloroethoxy)phenyl]acetic acid
CID 22615229
1-iodo-2-[2-(4-nitrophenoxy)ethoxy]benzene
CID 141496946
2-[2-(4-phenoxybutoxy)phenyl]acetic acid
CID 154276164
2-[4-(phenoxymethyl)phenyl]acetic acid
CID 12832053
2-[4-[3-(4-chlorophenoxy)propoxy]phenyl]acetic acid
CID 22761079
2-[4-(phenylmethoxymethoxy)phenyl]acetic acid
CID 102939339
2-[4-[2-(2,2,2-trifluoroethoxy)ethoxy]phenyl]acetic acid
CID 61492419
2-[4-[2-(2,2-difluoroethoxy)ethoxy]phenyl]acetic acid
CID 82008841
2-[4-(phenylsulfanylmethoxy)phenyl]acetic acid
CID 54151488
2-[4-(3-hydroxy-3-methylbutoxy)phenyl]acetic acid
CID 79361796
2-iodo-N-[2-(2-phenoxyethoxy)phenyl]benzamide
CID 17130833
2-[2-(2-iodophenoxy)ethoxy]benzohydrazide
CID 63570332

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid (CID 63074837) is 2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid is O=C(O)Cc1ccc(OCCOc2ccccc2I)cc1.
What is the InChIKey of 2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid?
The InChIKey is JOMFRTUVUBVGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IO4/c17-14-3-1-2-4-15(14)21-10-9-20-13-7-5-12(6-8-13)11-16(18)19/h1-8H,9-11H2,(H,18,19).
What are the key properties of 2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid?
2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid has a molecular weight of 398.20 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(2-iodophenoxy)ethoxy]phenyl]acetic acid is sourced from PubChem (CID 63074837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).