2-iodo-5-pentadecylphenol

C21H35IO — CID 11953466

IUPAC2-iodo-5-pentadecylphenol
SMILESCCCCCCCCCCCCCCCc1ccc(I)c(O)c1
InChIInChI=1S/C21H35IO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-20(22)21(23)18-19/h16-18,23H,2-15H2,1H3
InChIKeyGHUGOWVVPWURRS-UHFFFAOYSA-N
MW430.41 g/mol
LogP7.63
Rot. Bonds14

About 2-iodo-5-pentadecylphenol

2-iodo-5-pentadecylphenol (PubChem CID 11953466) has the molecular formula C21H35IO and a molecular weight of 430.41 g/mol. Its IUPAC name is 2-iodo-5-pentadecylphenol.

Molecular Properties

Compound Name2-iodo-5-pentadecylphenol
PubChem CID11953466
Molecular FormulaC21H35IO
Molecular Weight430.41 g/mol
Exact Mass430.17
IUPAC Name2-iodo-5-pentadecylphenol
SMILESCCCCCCCCCCCCCCCc1ccc(I)c(O)c1
InChIInChI=1S/C21H35IO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-20(22)21(23)18-19/h16-18,23H,2-15H2,1H3
InChIKeyGHUGOWVVPWURRS-UHFFFAOYSA-N
XLogP7.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.41
LogP ≤ 57.63
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

2-butyl-5-pentadecylphenol
CID 175271686
2-ethyl-5-nonylphenol
CID 54394722
CID 175900742
CID 175900742
2-decyl-5-nonylbenzene-1,3-diol
CID 174774661
4-nonyl-2-pentylphenol
CID 86162849
2-methyl-4-octadecylphenol
CID 3022311
2-ethyl-4-heptylphenol
CID 58289223
5-hexylbenzene-1,2,3-triol
CID 54026211
2-hydroxy-4-pentadecylbenzaldehyde
CID 3270829
4-hexyl-2-propan-2-ylphenol
CID 154277952
2-[(2-hydroxy-5-octadecylphenyl)disulfanyl]-4-octadecylphenol
CID 71319393
calcium;hydride;4-tetradecylphenol
CID 174582359

Frequently Asked Questions

What is the IUPAC name of 2-iodo-5-pentadecylphenol?
The IUPAC name of 2-iodo-5-pentadecylphenol (CID 11953466) is 2-iodo-5-pentadecylphenol.
What is the SMILES notation for 2-iodo-5-pentadecylphenol?
The canonical SMILES for 2-iodo-5-pentadecylphenol is CCCCCCCCCCCCCCCc1ccc(I)c(O)c1.
What is the InChIKey of 2-iodo-5-pentadecylphenol?
The InChIKey is GHUGOWVVPWURRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H35IO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-16-17-20(22)21(23)18-19/h16-18,23H,2-15H2,1H3.
What are the key properties of 2-iodo-5-pentadecylphenol?
2-iodo-5-pentadecylphenol has a molecular weight of 430.41 g/mol, XLogP of 7.63, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-5-pentadecylphenol is sourced from PubChem (CID 11953466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).