3-chloro-4-methylbenzene-2-id-1-ol;tungsten

C7H6ClOW- — CID 156723461

IUPAC3-chloro-4-methylbenzene-2-id-1-ol;tungsten
SMILESCc1ccc(O)[c-]c1Cl.[W]
InChIInChI=1S/C7H6ClO.W/c1-5-2-3-6(9)4-7(5)8;/h2-3,9H,1H3;/q-1;
InChIKeyFNKRVDTYYSKCTM-UHFFFAOYSA-N
MW325.42 g/mol
LogP2.15
Rot. Bonds

About 3-chloro-4-methylbenzene-2-id-1-ol;tungsten

3-chloro-4-methylbenzene-2-id-1-ol;tungsten (PubChem CID 156723461) has the molecular formula C7H6ClOW- and a molecular weight of 325.42 g/mol. Its IUPAC name is 3-chloro-4-methylbenzene-2-id-1-ol;tungsten.

Molecular Properties

Compound Name3-chloro-4-methylbenzene-2-id-1-ol;tungsten
PubChem CID156723461
Molecular FormulaC7H6ClOW-
Molecular Weight325.42 g/mol
Exact Mass324.96
IUPAC Name3-chloro-4-methylbenzene-2-id-1-ol;tungsten
SMILESCc1ccc(O)[c-]c1Cl.[W]
InChIInChI=1S/C7H6ClO.W/c1-5-2-3-6(9)4-7(5)8;/h2-3,9H,1H3;/q-1;
InChIKeyFNKRVDTYYSKCTM-UHFFFAOYSA-N
XLogP2.15
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.15
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

2,4-dichloro-1-methylbenzene-3-ide;yttrium
CID 59907881
2-chloro-3,6-dimethylphenol;ethane
CID 144511181
3-chloro-4-methylphenol
CID 14853
lithium 3-methylbenzene-2-id-1-ol
CID 134894947
6-chloro-2-[(3-chloro-2-hydroxy-6-methylphenyl)methyl]-3-methylphenol
CID 159859683
1,2-dichlorobenzene;2-methylphenol
CID 159780398
2-chloro-3-methylphenol;ethane
CID 171645221
2-(4-chlorophenyl)-3,6-dimethylphenol
CID 102112254
2-chloro-3-[2-(2-chloro-3-hydroxy-4-methylphenyl)propan-2-yl]-6-methylphenol
CID 139749060
6-chloro-2-ethyl-3-methylphenol
CID 123495023
5-(3,4-dichlorophenyl)-2-methylphenol
CID 53219084
2-(aminomethyl)-3-chloro-6-methylphenol
CID 84766114

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methylbenzene-2-id-1-ol;tungsten?
The IUPAC name of 3-chloro-4-methylbenzene-2-id-1-ol;tungsten (CID 156723461) is 3-chloro-4-methylbenzene-2-id-1-ol;tungsten.
What is the SMILES notation for 3-chloro-4-methylbenzene-2-id-1-ol;tungsten?
The canonical SMILES for 3-chloro-4-methylbenzene-2-id-1-ol;tungsten is Cc1ccc(O)[c-]c1Cl.[W].
What is the InChIKey of 3-chloro-4-methylbenzene-2-id-1-ol;tungsten?
The InChIKey is FNKRVDTYYSKCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClO.W/c1-5-2-3-6(9)4-7(5)8;/h2-3,9H,1H3;/q-1;.
What are the key properties of 3-chloro-4-methylbenzene-2-id-1-ol;tungsten?
3-chloro-4-methylbenzene-2-id-1-ol;tungsten has a molecular weight of 325.42 g/mol, XLogP of 2.15, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methylbenzene-2-id-1-ol;tungsten is sourced from PubChem (CID 156723461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).