[4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium

C18H24IOS+ — CID 19880661

IUPAC[4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium
SMILESCCCCC(CC)COc1ccc([I+]c2cccs2)cc1
InChIInChI=1S/C18H24IOS/c1-3-5-7-15(4-2)14-20-17-11-9-16(10-12-17)19-18-8-6-13-21-18/h6,8-13,15H,3-5,7,14H2,1-2H3/q+1
InChIKeyINXQGOMBSLSLRO-UHFFFAOYSA-N
MW415.36 g/mol
LogP2.47
Rot. Bonds9

About [4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium

[4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium (PubChem CID 19880661) has the molecular formula C18H24IOS+ and a molecular weight of 415.36 g/mol. Its IUPAC name is [4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium.

Molecular Properties

Compound Name[4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium
PubChem CID19880661
Molecular FormulaC18H24IOS+
Molecular Weight415.36 g/mol
Exact Mass415.06
IUPAC Name[4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium
SMILESCCCCC(CC)COc1ccc([I+]c2cccs2)cc1
InChIInChI=1S/C18H24IOS/c1-3-5-7-15(4-2)14-20-17-11-9-16(10-12-17)19-18-8-6-13-21-18/h6,8-13,15H,3-5,7,14H2,1-2H3/q+1
InChIKeyINXQGOMBSLSLRO-UHFFFAOYSA-N
XLogP2.47
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.36
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis[(2S)-2-ethylhexoxy]benzene
CID 67003802
4-(2-ethylhexoxy)-N-methylaniline
CID 63423828
[4-(2-ethylhexoxy)phenyl]methanamine
CID 43126950
4-(2-ethylhexoxy)benzenediazonium
CID 101390113
2,6,9,10-tetrakis(2-ethylhexoxy)anthracene
CID 139930225
2-chloro-4-(2-ethylhexoxy)benzonitrile
CID 63510721
1-[(2E,4E)-3,4-dimethyl-5-phenylhexa-2,4-dien-2-yl]-4-(2-ethylhexoxy)benzene
CID 59296842
ethane;1-(2-ethylhexoxy)-4-methylbenzene;prop-1-ene
CID 170619939
N-(4-bromophenyl)-4-[(2R)-2-ethylhexoxy]-N-[4-[(2R)-2-ethylhexoxy]phenyl]aniline
CID 98047352
2-ethylhexoxybenzene;methoxyboronic acid
CID 23293414
1-(2-ethylhexoxy)-4-(sulfinoamino)benzene
CID 57062457
4,8-bis[(2R)-2-ethylhexoxy]thieno[2,3-f][1]benzothiole
CID 86328373

Frequently Asked Questions

What is the IUPAC name of [4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium?
The IUPAC name of [4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium (CID 19880661) is [4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium.
What is the SMILES notation for [4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium?
The canonical SMILES for [4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium is CCCCC(CC)COc1ccc([I+]c2cccs2)cc1.
What is the InChIKey of [4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium?
The InChIKey is INXQGOMBSLSLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24IOS/c1-3-5-7-15(4-2)14-20-17-11-9-16(10-12-17)19-18-8-6-13-21-18/h6,8-13,15H,3-5,7,14H2,1-2H3/q+1.
What are the key properties of [4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium?
[4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium has a molecular weight of 415.36 g/mol, XLogP of 2.47, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-ethylhexoxy)phenyl]-thiophen-2-yliodanium is sourced from PubChem (CID 19880661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).