bis(4-methylphenol);tetrahydrochloride

C14H20Cl4O2 — CID 175346853

IUPACbis(4-methylphenol);tetrahydrochloride
SMILESCc1ccc(O)cc1.Cc1ccc(O)cc1.Cl.Cl.Cl.Cl
InChIInChI=1S/2C7H8O.4ClH/c2*1-6-2-4-7(8)5-3-6;;;;/h2*2-5,8H,1H3;4*1H
InChIKeyKTQUNQMVYXINDY-UHFFFAOYSA-N
MW362.12 g/mol
LogP5.09
Rot. Bonds

About bis(4-methylphenol);tetrahydrochloride

bis(4-methylphenol);tetrahydrochloride (PubChem CID 175346853) has the molecular formula C14H20Cl4O2 and a molecular weight of 362.12 g/mol. Its IUPAC name is bis(4-methylphenol);tetrahydrochloride.

Molecular Properties

Compound Namebis(4-methylphenol);tetrahydrochloride
PubChem CID175346853
Molecular FormulaC14H20Cl4O2
Molecular Weight362.12 g/mol
Exact Mass360.02
IUPAC Namebis(4-methylphenol);tetrahydrochloride
SMILESCc1ccc(O)cc1.Cc1ccc(O)cc1.Cl.Cl.Cl.Cl
InChIInChI=1S/2C7H8O.4ClH/c2*1-6-2-4-7(8)5-3-6;;;;/h2*2-5,8H,1H3;4*1H
InChIKeyKTQUNQMVYXINDY-UHFFFAOYSA-N
XLogP5.09
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.12
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-methylphenol
CID 70549076
4-methylphenol;hydrate
CID 71777661
chromium;bis(4-methylphenol);chloride
CID 172752271
4-methylphenol;2-methylpropane
CID 91606636
ethane;4-(4-methylphenyl)phenol
CID 161379556
boric acid;4-methylphenol
CID 67912006
4-methylphenol;prop-1-yne
CID 158792009
dichlorotungsten;tris(4-methylphenol);hydrate
CID 153466835
4-methylphenol;propan-2-ylphosphane
CID 144779899
ethane;formic acid;4-methylphenol
CID 143673297
4-[(4-methylphenyl)diazenyl]phenol
CID 2827322
bis(4-hydroxyphenyl)-(4-methylphenyl)sulfanium
CID 22901782

Frequently Asked Questions

What is the IUPAC name of bis(4-methylphenol);tetrahydrochloride?
The IUPAC name of bis(4-methylphenol);tetrahydrochloride (CID 175346853) is bis(4-methylphenol);tetrahydrochloride.
What is the SMILES notation for bis(4-methylphenol);tetrahydrochloride?
The canonical SMILES for bis(4-methylphenol);tetrahydrochloride is Cc1ccc(O)cc1.Cc1ccc(O)cc1.Cl.Cl.Cl.Cl.
What is the InChIKey of bis(4-methylphenol);tetrahydrochloride?
The InChIKey is KTQUNQMVYXINDY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H8O.4ClH/c2*1-6-2-4-7(8)5-3-6;;;;/h2*2-5,8H,1H3;4*1H.
What are the key properties of bis(4-methylphenol);tetrahydrochloride?
bis(4-methylphenol);tetrahydrochloride has a molecular weight of 362.12 g/mol, XLogP of 5.09, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4-methylphenol);tetrahydrochloride is sourced from PubChem (CID 175346853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).