lithium 3-methylbenzene-2-id-1-ol

C7H7LiO — CID 134894947

IUPAClithium 3-methylbenzene-2-id-1-ol
SMILESCc1[c-]c(O)ccc1.[Li+]
InChIInChI=1S/C7H7O.Li/c1-6-3-2-4-7(8)5-6;/h2-4,8H,1H3;/q-1;+1
InChIKeyMJHYSGMQAMBZLS-UHFFFAOYSA-N
MW114.07 g/mol
LogP-1.50
Rot. Bonds

About lithium 3-methylbenzene-2-id-1-ol

lithium 3-methylbenzene-2-id-1-ol (PubChem CID 134894947) has the molecular formula C7H7LiO and a molecular weight of 114.07 g/mol. Its IUPAC name is lithium 3-methylbenzene-2-id-1-ol.

Molecular Properties

Compound Namelithium 3-methylbenzene-2-id-1-ol
PubChem CID134894947
Molecular FormulaC7H7LiO
Molecular Weight114.07 g/mol
Exact Mass114.07
IUPAC Namelithium 3-methylbenzene-2-id-1-ol
SMILESCc1[c-]c(O)ccc1.[Li+]
InChIInChI=1S/C7H7O.Li/c1-6-3-2-4-7(8)5-6;/h2-4,8H,1H3;/q-1;+1
InChIKeyMJHYSGMQAMBZLS-UHFFFAOYSA-N
XLogP-1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.07
LogP ≤ 5-1.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethylbenzene-2-ide;iron
CID 175995533
1,3-dimethylbenzene-2-ide;titanium(3+);dichloride
CID 87514740
1-tert-butyl-3-methylbenzene-2-ide;yttrium
CID 176734878
2-methylbenzene-1,3-diol
CID 139200813
3-chloro-4-methylbenzene-2-id-1-ol;tungsten
CID 156723461
2-chloro-3-methylphenol;ethane
CID 171645221
2-(dimethylamino)benzene-1,3-diol
CID 21407142
3-methylbenzene-1,2-diol
CID 135381405
2-(2-hydroxy-6-methylphenyl)-3-methylphenol
CID 10198261
2-chloro-6-methylphenol;yttrium
CID 178141464
methylbenzene;tungsten
CID 58867867
methylbenzene;praseodymium
CID 59896436

Frequently Asked Questions

What is the IUPAC name of lithium 3-methylbenzene-2-id-1-ol?
The IUPAC name of lithium 3-methylbenzene-2-id-1-ol (CID 134894947) is lithium 3-methylbenzene-2-id-1-ol.
What is the SMILES notation for lithium 3-methylbenzene-2-id-1-ol?
The canonical SMILES for lithium 3-methylbenzene-2-id-1-ol is Cc1[c-]c(O)ccc1.[Li+].
What is the InChIKey of lithium 3-methylbenzene-2-id-1-ol?
The InChIKey is MJHYSGMQAMBZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O.Li/c1-6-3-2-4-7(8)5-6;/h2-4,8H,1H3;/q-1;+1.
What are the key properties of lithium 3-methylbenzene-2-id-1-ol?
lithium 3-methylbenzene-2-id-1-ol has a molecular weight of 114.07 g/mol, XLogP of -1.50, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 3-methylbenzene-2-id-1-ol is sourced from PubChem (CID 134894947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).