7-(2-iodophenyl)-7-oxoheptanoic acid

C13H15IO3 — CID 24727011

IUPAC7-(2-iodophenyl)-7-oxoheptanoic acid
SMILESO=C(O)CCCCCC(=O)c1ccccc1I
InChIInChI=1S/C13H15IO3/c14-11-7-5-4-6-10(11)12(15)8-2-1-3-9-13(16)17/h4-7H,1-3,8-9H2,(H,16,17)
InChIKeyAUBOBJJZBBICII-UHFFFAOYSA-N
MW346.16 g/mol
LogP3.51
Rot. Bonds7

About 7-(2-iodophenyl)-7-oxoheptanoic acid

7-(2-iodophenyl)-7-oxoheptanoic acid (PubChem CID 24727011) has the molecular formula C13H15IO3 and a molecular weight of 346.16 g/mol. Its IUPAC name is 7-(2-iodophenyl)-7-oxoheptanoic acid.

Molecular Properties

Compound Name7-(2-iodophenyl)-7-oxoheptanoic acid
PubChem CID24727011
Molecular FormulaC13H15IO3
Molecular Weight346.16 g/mol
Exact Mass346.01
IUPAC Name7-(2-iodophenyl)-7-oxoheptanoic acid
SMILESO=C(O)CCCCCC(=O)c1ccccc1I
InChIInChI=1S/C13H15IO3/c14-11-7-5-4-6-10(11)12(15)8-2-1-3-9-13(16)17/h4-7H,1-3,8-9H2,(H,16,17)
InChIKeyAUBOBJJZBBICII-UHFFFAOYSA-N
XLogP3.51
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.16
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

4-(2-iodophenyl)-4-oxobutanoic acid
CID 24727008
8-(2-methylphenyl)-8-oxooctanoic acid
CID 24726897
8-(2-fluorophenyl)-8-oxooctanoic acid
CID 24726960
decanedioic acid;phthalic acid
CID 67564124
4-[(2-iodobenzoyl)amino]butanoic acid
CID 16775783
5-(2-aminophenyl)-5-oxopentanoic acid
CID 14382100
1-(2-iodophenyl)-4,4-dimethylpentan-1-one
CID 114970054
7-oxo-7-phenanthren-9-ylheptanoic acid
CID 24726938
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350
gold;heptanedioic acid
CID 174896169
6-(4-bromonaphthalen-1-yl)-6-oxohexanoic acid
CID 79596996
2-(17-carboxyheptadecyl)benzoic acid
CID 19770577

Frequently Asked Questions

What is the IUPAC name of 7-(2-iodophenyl)-7-oxoheptanoic acid?
The IUPAC name of 7-(2-iodophenyl)-7-oxoheptanoic acid (CID 24727011) is 7-(2-iodophenyl)-7-oxoheptanoic acid.
What is the SMILES notation for 7-(2-iodophenyl)-7-oxoheptanoic acid?
The canonical SMILES for 7-(2-iodophenyl)-7-oxoheptanoic acid is O=C(O)CCCCCC(=O)c1ccccc1I.
What is the InChIKey of 7-(2-iodophenyl)-7-oxoheptanoic acid?
The InChIKey is AUBOBJJZBBICII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15IO3/c14-11-7-5-4-6-10(11)12(15)8-2-1-3-9-13(16)17/h4-7H,1-3,8-9H2,(H,16,17).
What are the key properties of 7-(2-iodophenyl)-7-oxoheptanoic acid?
7-(2-iodophenyl)-7-oxoheptanoic acid has a molecular weight of 346.16 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-iodophenyl)-7-oxoheptanoic acid is sourced from PubChem (CID 24727011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).