2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten

C15H16Cl4O2W — CID 153466850

IUPAC2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
SMILESCc1ccc(O)c(Cc2cc(C)ccc2O)c1.Cl[W](Cl)(Cl)Cl
InChIInChI=1S/C15H16O2.4ClH.W/c1-10-3-5-14(16)12(7-10)9-13-8-11(2)4-6-15(13)17;;;;;/h3-8,16-17H,9H2,1-2H3;4*1H;/q;;;;;+4/p-4
InChIKeyPOTCJFUHBIBQBJ-UHFFFAOYSA-J
MW553.94 g/mol
LogP6.06
Rot. Bonds2

About 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten

2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten (PubChem CID 153466850) has the molecular formula C15H16Cl4O2W and a molecular weight of 553.94 g/mol. Its IUPAC name is 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten.

Molecular Properties

Compound Name2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
PubChem CID153466850
Molecular FormulaC15H16Cl4O2W
Molecular Weight553.94 g/mol
Exact Mass551.94
IUPAC Name2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten
SMILESCc1ccc(O)c(Cc2cc(C)ccc2O)c1.Cl[W](Cl)(Cl)Cl
InChIInChI=1S/C15H16O2.4ClH.W/c1-10-3-5-14(16)12(7-10)9-13-8-11(2)4-6-15(13)17;;;;;/h3-8,16-17H,9H2,1-2H3;4*1H;/q;;;;;+4/p-4
InChIKeyPOTCJFUHBIBQBJ-UHFFFAOYSA-J
XLogP6.06
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.94
LogP ≤ 56.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
4-methyl-2-[(2,3,5-trimethylphenyl)methyl]phenol
CID 21015145
4-ethyl-2,6-bis[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 150105326
4-methyl-2-[(3,4,5-trimethylphenyl)methyl]phenol
CID 90160310
2-(2-hydroxy-5-methylphenyl)acetic acid
CID 13360645
2-[[3-chloro-4-(methylamino)phenyl]methyl]-4-methylphenol
CID 132570110
4-methyl-2-[(2-methyl-3-pyridinyl)methyl]phenol
CID 143626685
2-[(3-hydroxy-4-methylphenyl)methyl]-4-methylphenol
CID 143552541
2-[(3-tert-butyl-2-hydroxy-5-methylphenyl)methyl]-6-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 10894744
2-[(2-hydroxy-5-methylphenyl)methyl]-4-[[3-[(2-hydroxy-5-methylphenyl)methyl]-2,5-dimethylphenyl]methyl]-3,6-dimethylphenol
CID 143901407
2-tert-butyl-6-[(2-hydroxy-5-methylphenyl)methyl]phenol
CID 86162774

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten?
The IUPAC name of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten (CID 153466850) is 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten.
What is the SMILES notation for 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten?
The canonical SMILES for 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten is Cc1ccc(O)c(Cc2cc(C)ccc2O)c1.Cl[W](Cl)(Cl)Cl.
What is the InChIKey of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten?
The InChIKey is POTCJFUHBIBQBJ-UHFFFAOYSA-J. The full InChI is InChI=1S/C15H16O2.4ClH.W/c1-10-3-5-14(16)12(7-10)9-13-8-11(2)4-6-15(13)17;;;;;/h3-8,16-17H,9H2,1-2H3;4*1H;/q;;;;;+4/p-4.
What are the key properties of 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten?
2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten has a molecular weight of 553.94 g/mol, XLogP of 6.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;tetrachlorotungsten is sourced from PubChem (CID 153466850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).