(2-butyl-4-hydroxyphenyl)-phenyliodanium

C16H18IO+ — CID 159014863

IUPAC(2-butyl-4-hydroxyphenyl)-phenyliodanium
SMILESCCCCc1cc(O)ccc1[I+]c1ccccc1
InChIInChI=1S/C16H17IO/c1-2-3-7-13-12-15(18)10-11-16(13)17-14-8-5-4-6-9-14/h4-6,8-12H,2-3,7H2,1H3/p+1
InChIKeyJSYOIABPVARMIQ-UHFFFAOYSA-O
MW353.22 g/mol
LogP0.86
Rot. Bonds5

About (2-butyl-4-hydroxyphenyl)-phenyliodanium

(2-butyl-4-hydroxyphenyl)-phenyliodanium (PubChem CID 159014863) has the molecular formula C16H18IO+ and a molecular weight of 353.22 g/mol. Its IUPAC name is (2-butyl-4-hydroxyphenyl)-phenyliodanium.

Molecular Properties

Compound Name(2-butyl-4-hydroxyphenyl)-phenyliodanium
PubChem CID159014863
Molecular FormulaC16H18IO+
Molecular Weight353.22 g/mol
Exact Mass353.04
IUPAC Name(2-butyl-4-hydroxyphenyl)-phenyliodanium
SMILESCCCCc1cc(O)ccc1[I+]c1ccccc1
InChIInChI=1S/C16H17IO/c1-2-3-7-13-12-15(18)10-11-16(13)17-14-8-5-4-6-9-14/h4-6,8-12H,2-3,7H2,1H3/p+1
InChIKeyJSYOIABPVARMIQ-UHFFFAOYSA-O
XLogP0.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.22
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-dodecylphenyl)-phenyliodanium
CID 71346561
3-butyl-4-(2-butyl-4-hydroxyphenyl)phenol
CID 23353932
phenyl 2-butyl-4-hydroxybenzoate
CID 174424023
4-bromo-3-hexylphenol
CID 15007737
2-butyl-6-phenylbenzene-1,4-diol
CID 23109144
3-bromo-4-butylphenol
CID 20571557
2-tridecylbenzene-1,4-diol
CID 19033717
4-anilino-3-octylphenol
CID 101298415
2,2-bis(2-butyl-4-hydroxyphenyl)acetic acid
CID 172846961
(4-octylphenyl)-phenyliodanium
CID 16696664
sodium 2-dodecylbenzene-1,4-diol
CID 23460783
CID 70568956
CID 70568956

Frequently Asked Questions

What is the IUPAC name of (2-butyl-4-hydroxyphenyl)-phenyliodanium?
The IUPAC name of (2-butyl-4-hydroxyphenyl)-phenyliodanium (CID 159014863) is (2-butyl-4-hydroxyphenyl)-phenyliodanium.
What is the SMILES notation for (2-butyl-4-hydroxyphenyl)-phenyliodanium?
The canonical SMILES for (2-butyl-4-hydroxyphenyl)-phenyliodanium is CCCCc1cc(O)ccc1[I+]c1ccccc1.
What is the InChIKey of (2-butyl-4-hydroxyphenyl)-phenyliodanium?
The InChIKey is JSYOIABPVARMIQ-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H17IO/c1-2-3-7-13-12-15(18)10-11-16(13)17-14-8-5-4-6-9-14/h4-6,8-12H,2-3,7H2,1H3/p+1.
What are the key properties of (2-butyl-4-hydroxyphenyl)-phenyliodanium?
(2-butyl-4-hydroxyphenyl)-phenyliodanium has a molecular weight of 353.22 g/mol, XLogP of 0.86, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-butyl-4-hydroxyphenyl)-phenyliodanium is sourced from PubChem (CID 159014863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).