2,4-diiodo-5-pentadecylphenol

C21H34I2O — CID 11953468

IUPAC2,4-diiodo-5-pentadecylphenol
SMILESCCCCCCCCCCCCCCCc1cc(O)c(I)cc1I
InChIInChI=1S/C21H34I2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-21(24)20(23)17-19(18)22/h16-17,24H,2-15H2,1H3
InChIKeyKZGBPBOHNGJXNN-UHFFFAOYSA-N
MW556.31 g/mol
LogP8.24
Rot. Bonds14

About 2,4-diiodo-5-pentadecylphenol

2,4-diiodo-5-pentadecylphenol (PubChem CID 11953468) has the molecular formula C21H34I2O and a molecular weight of 556.31 g/mol. Its IUPAC name is 2,4-diiodo-5-pentadecylphenol.

Molecular Properties

Compound Name2,4-diiodo-5-pentadecylphenol
PubChem CID11953468
Molecular FormulaC21H34I2O
Molecular Weight556.31 g/mol
Exact Mass556.07
IUPAC Name2,4-diiodo-5-pentadecylphenol
SMILESCCCCCCCCCCCCCCCc1cc(O)c(I)cc1I
InChIInChI=1S/C21H34I2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-21(24)20(23)17-19(18)22/h16-17,24H,2-15H2,1H3
InChIKeyKZGBPBOHNGJXNN-UHFFFAOYSA-N
XLogP8.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.31
LogP ≤ 58.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

4,5-didecylbenzene-1,2-diol
CID 15667809
4-heptyl-2,5-di(pentadecyl)phenol
CID 90276181
2-iodo-5-pentadecylphenol
CID 11953466
4-tricosylbenzene-1,3-diol
CID 101133990
2,4-dimethyl-5-pentadecylphenol
CID 166008290
2-tridecylbenzene-1,4-diol
CID 19033717
2,3,4,5-tetradodecylphenol
CID 21465809
2,3-dihexyl-6,7-diiodobiphenylene
CID 176885795
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
2,3,5-triheptylbenzene-1,4-diol
CID 139946372
CID 70369806
CID 70369806
2,3,5-tri(nonyl)benzene-1,4-diol
CID 139946381

Frequently Asked Questions

What is the IUPAC name of 2,4-diiodo-5-pentadecylphenol?
The IUPAC name of 2,4-diiodo-5-pentadecylphenol (CID 11953468) is 2,4-diiodo-5-pentadecylphenol.
What is the SMILES notation for 2,4-diiodo-5-pentadecylphenol?
The canonical SMILES for 2,4-diiodo-5-pentadecylphenol is CCCCCCCCCCCCCCCc1cc(O)c(I)cc1I.
What is the InChIKey of 2,4-diiodo-5-pentadecylphenol?
The InChIKey is KZGBPBOHNGJXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34I2O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-16-21(24)20(23)17-19(18)22/h16-17,24H,2-15H2,1H3.
What are the key properties of 2,4-diiodo-5-pentadecylphenol?
2,4-diiodo-5-pentadecylphenol has a molecular weight of 556.31 g/mol, XLogP of 8.24, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diiodo-5-pentadecylphenol is sourced from PubChem (CID 11953468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).