3-methylbenzene-4-id-1-ol;yttrium

C7H7OY- — CID 59271259

IUPAC3-methylbenzene-4-id-1-ol;yttrium
SMILESCc1[c-]ccc(O)c1.[Y]
InChIInChI=1S/C7H7O.Y/c1-6-3-2-4-7(8)5-6;/h2,4-5,8H,1H3;/q-1;
InChIKeyCDJJWTBEEQUNQJ-UHFFFAOYSA-N
MW196.04 g/mol
LogP1.50
Rot. Bonds

About 3-methylbenzene-4-id-1-ol;yttrium

3-methylbenzene-4-id-1-ol;yttrium (PubChem CID 59271259) has the molecular formula C7H7OY- and a molecular weight of 196.04 g/mol. Its IUPAC name is 3-methylbenzene-4-id-1-ol;yttrium.

Molecular Properties

Compound Name3-methylbenzene-4-id-1-ol;yttrium
PubChem CID59271259
Molecular FormulaC7H7OY-
Molecular Weight196.04 g/mol
Exact Mass195.96
IUPAC Name3-methylbenzene-4-id-1-ol;yttrium
SMILESCc1[c-]ccc(O)c1.[Y]
InChIInChI=1S/C7H7O.Y/c1-6-3-2-4-7(8)5-6;/h2,4-5,8H,1H3;/q-1;
InChIKeyCDJJWTBEEQUNQJ-UHFFFAOYSA-N
XLogP1.50
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.04
LogP ≤ 51.50
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

(3-methylbenzene-4-id-1-yl)boronic acid;yttrium
CID 59322369
potassium;carbanide;1-chloro-3-methylbenzene-4-ide
CID 177050107
methyl 3-[(3-methylbenzene-4-id-1-yl)diazenyl]benzene-6-ide-1-carboxylate;tetrakis(yttrium)
CID 59400351
CID 67130957
CID 67130957
zinc;methylbenzene;chloride
CID 22283008
carbanide;3-methylphenol;yttrium
CID 161376652
3-chloro-4-methylphenol
CID 14853
4-chloro-3-methylphenol;4-chlorophenol
CID 70419775
benzene-1,2-diol;4-chloro-3-methylphenol
CID 67381878
benzene-1,3-diol;tris(yttrium)
CID 23386139
iron;methylbenzene
CID 134850166
3-methylphenol
CID 67925627

Frequently Asked Questions

What is the IUPAC name of 3-methylbenzene-4-id-1-ol;yttrium?
The IUPAC name of 3-methylbenzene-4-id-1-ol;yttrium (CID 59271259) is 3-methylbenzene-4-id-1-ol;yttrium.
What is the SMILES notation for 3-methylbenzene-4-id-1-ol;yttrium?
The canonical SMILES for 3-methylbenzene-4-id-1-ol;yttrium is Cc1[c-]ccc(O)c1.[Y].
What is the InChIKey of 3-methylbenzene-4-id-1-ol;yttrium?
The InChIKey is CDJJWTBEEQUNQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7O.Y/c1-6-3-2-4-7(8)5-6;/h2,4-5,8H,1H3;/q-1;.
What are the key properties of 3-methylbenzene-4-id-1-ol;yttrium?
3-methylbenzene-4-id-1-ol;yttrium has a molecular weight of 196.04 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 3-methylbenzene-4-id-1-ol;yttrium is sourced from PubChem (CID 59271259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).