2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid

C15H13IO3 — CID 113314320

IUPAC2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COc1cccc(I)c1
InChIInChI=1S/C15H13IO3/c16-13-6-3-7-14(9-13)19-10-12-5-2-1-4-11(12)8-15(17)18/h1-7,9H,8,10H2,(H,17,18)
InChIKeyXTCFGDKQYGQIKB-UHFFFAOYSA-N
MW368.17 g/mol
LogP3.50
Rot. Bonds5

About 2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid

2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid (PubChem CID 113314320) has the molecular formula C15H13IO3 and a molecular weight of 368.17 g/mol. Its IUPAC name is 2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid
PubChem CID113314320
Molecular FormulaC15H13IO3
Molecular Weight368.17 g/mol
Exact Mass367.99
IUPAC Name2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid
SMILESO=C(O)Cc1ccccc1COc1cccc(I)c1
InChIInChI=1S/C15H13IO3/c16-13-6-3-7-14(9-13)19-10-12-5-2-1-4-11(12)8-15(17)18/h1-7,9H,8,10H2,(H,17,18)
InChIKeyXTCFGDKQYGQIKB-UHFFFAOYSA-N
XLogP3.50
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.17
LogP ≤ 53.50
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

2-[2-[[3-(hydroxymethyl)phenoxy]methyl]phenyl]acetic acid
CID 115460733
2-[(3-iodophenoxy)methyl]benzohydrazide
CID 63576085
2-[(3-iodophenoxy)methyl]-6-nitrobenzoic acid
CID 104825148
2-[2-[(3,4-difluorophenoxy)methyl]phenyl]acetic acid
CID 115460701
2-[2-[[3-(quinolin-2-ylmethoxy)phenoxy]methyl]phenyl]acetic acid
CID 22241469
2-[2-[(4-bromo-3,5-dimethylphenoxy)methyl]phenyl]acetic acid
CID 107722369
5-[(3-iodophenoxy)methyl]thiophene-2-carboxylic acid
CID 63380041
2-[4-[(3-iodophenoxy)methyl]phenyl]propanoic acid
CID 105344905
2-[2-[(3-chloro-4-cyanophenoxy)methyl]phenyl]acetic acid
CID 102723934
2-[2-[(4-cyano-3-fluorophenoxy)methyl]phenyl]acetic acid
CID 115460804
2-[2-[(4-acetyl-3-methoxyphenoxy)methyl]phenyl]acetic acid
CID 91863926
[3-[[8-[(3-benzoylphenoxy)methyl]naphthalen-1-yl]methoxy]phenyl]-phenylmethanone
CID 102370762

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid?
The IUPAC name of 2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid (CID 113314320) is 2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid?
The canonical SMILES for 2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid is O=C(O)Cc1ccccc1COc1cccc(I)c1.
What is the InChIKey of 2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid?
The InChIKey is XTCFGDKQYGQIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13IO3/c16-13-6-3-7-14(9-13)19-10-12-5-2-1-4-11(12)8-15(17)18/h1-7,9H,8,10H2,(H,17,18).
What are the key properties of 2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid?
2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid has a molecular weight of 368.17 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(3-iodophenoxy)methyl]phenyl]acetic acid is sourced from PubChem (CID 113314320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).