lithium;butane;6-ethyldibenzothiophen-4-ol

C18H21LiOS — CID 87765195

IUPAClithium;butane;6-ethyldibenzothiophen-4-ol
SMILESCCc1cccc2c1sc1c(O)cccc12.[CH2-]CCC.[Li+]
InChIInChI=1S/C14H12OS.C4H9.Li/c1-2-9-5-3-6-10-11-7-4-8-12(15)14(11)16-13(9)10;1-3-4-2;/h3-8,15H,2H2,1H3;1,3-4H2,2H3;/q;-1;+1
InChIKeyBSGIKODIBLENKE-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.95
Rot. Bonds2

About lithium;butane;6-ethyldibenzothiophen-4-ol

lithium;butane;6-ethyldibenzothiophen-4-ol (PubChem CID 87765195) has the molecular formula C18H21LiOS and a molecular weight of 292.37 g/mol. Its IUPAC name is lithium;butane;6-ethyldibenzothiophen-4-ol.

Molecular Properties

Compound Namelithium;butane;6-ethyldibenzothiophen-4-ol
PubChem CID87765195
Molecular FormulaC18H21LiOS
Molecular Weight292.37 g/mol
Exact Mass292.15
IUPAC Namelithium;butane;6-ethyldibenzothiophen-4-ol
SMILESCCc1cccc2c1sc1c(O)cccc12.[CH2-]CCC.[Li+]
InChIInChI=1S/C14H12OS.C4H9.Li/c1-2-9-5-3-6-10-11-7-4-8-12(15)14(11)16-13(9)10;1-3-4-2;/h3-8,15H,2H2,1H3;1,3-4H2,2H3;/q;-1;+1
InChIKeyBSGIKODIBLENKE-UHFFFAOYSA-N
XLogP2.95
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

7-ethyl-2-iodo-1-benzothiophen-3-ol
CID 130825583
ethane;4-ethyldibenzothiophene
CID 123227550
7-ethyl-3-iodo-1-benzothiophene-2-carboxylic acid
CID 90124693
3-bromo-7-ethyl-2-methoxy-1-benzothiophene
CID 130785943
7-hydroxy-2-methyl-1-benzothiophene-3-carboxylic acid
CID 130987097
2-amino-7-ethyl-1-benzothiophen-4-ol
CID 130971743
5-ethyl-4-methylnaphthalen-1-ol
CID 130033880
benzene;2-ethylphenol
CID 159726745
4-[(6-ethyldibenzothiophen-4-yl)-iodoamino]benzonitrile
CID 137417037
2-butoxy-3-ethylphenol
CID 67732111
2,5-diethylthioxanthen-9-one
CID 18539503
N-(2-ethylphenyl)-N-methyl-6-propan-2-yldibenzothiophen-4-amine
CID 138651513

Frequently Asked Questions

What is the IUPAC name of lithium;butane;6-ethyldibenzothiophen-4-ol?
The IUPAC name of lithium;butane;6-ethyldibenzothiophen-4-ol (CID 87765195) is lithium;butane;6-ethyldibenzothiophen-4-ol.
What is the SMILES notation for lithium;butane;6-ethyldibenzothiophen-4-ol?
The canonical SMILES for lithium;butane;6-ethyldibenzothiophen-4-ol is CCc1cccc2c1sc1c(O)cccc12.[CH2-]CCC.[Li+].
What is the InChIKey of lithium;butane;6-ethyldibenzothiophen-4-ol?
The InChIKey is BSGIKODIBLENKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12OS.C4H9.Li/c1-2-9-5-3-6-10-11-7-4-8-12(15)14(11)16-13(9)10;1-3-4-2;/h3-8,15H,2H2,1H3;1,3-4H2,2H3;/q;-1;+1.
What are the key properties of lithium;butane;6-ethyldibenzothiophen-4-ol?
lithium;butane;6-ethyldibenzothiophen-4-ol has a molecular weight of 292.37 g/mol, XLogP of 2.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium;butane;6-ethyldibenzothiophen-4-ol is sourced from PubChem (CID 87765195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).