benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride

C23H36O6 — CID 157366045

IUPACbenzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride
SMILESC.C.C.COc1ccc(O)cc1.Cc1cc(O)ccc1O.Oc1ccc(O)cc1.[H][3H]
InChIInChI=1S/2C7H8O2.C6H6O2.3CH4.H2/c1-9-7-4-2-6(8)3-5-7;1-5-4-6(8)2-3-7(5)9;7-5-1-2-6(8)4-3-5;;;;/h2-5,8H,1H3;2-4,8-9H,1H3;1-4,7-8H;3*1H4;1H/i;;;;;;1+2
InChIKeyBJEPUPOHVCXPJV-ZKPGHZHMSA-N
MW410.54 g/mol
LogP6.06
Rot. Bonds1

About benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride

benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride (PubChem CID 157366045) has the molecular formula C23H36O6 and a molecular weight of 410.54 g/mol. Its IUPAC name is benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride.

Molecular Properties

Compound Namebenzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride
PubChem CID157366045
Molecular FormulaC23H36O6
Molecular Weight410.54 g/mol
Exact Mass410.26
IUPAC Namebenzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride
SMILESC.C.C.COc1ccc(O)cc1.Cc1cc(O)ccc1O.Oc1ccc(O)cc1.[H][3H]
InChIInChI=1S/2C7H8O2.C6H6O2.3CH4.H2/c1-9-7-4-2-6(8)3-5-7;1-5-4-6(8)2-3-7(5)9;7-5-1-2-6(8)4-3-5;;;;/h2-5,8H,1H3;2-4,8-9H,1H3;1-4,7-8H;3*1H4;1H/i;;;;;;1+2
InChIKeyBJEPUPOHVCXPJV-ZKPGHZHMSA-N
XLogP6.06
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.54
LogP ≤ 56.06
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methane;4-methoxyphenol
CID 159494332
2-tert-butylbenzene-1,4-diol;2,5-ditert-butylbenzene-1,4-diol;2,6-ditert-butyl-4-methylphenol;4-methoxyphenol;2-methylbenzene-1,4-diol
CID 158247324
2-methoxyphenol;2-methylbenzene-1,4-diol
CID 161187108
benzene-1,2-diol;4-methoxyphenol
CID 70292826
4-methoxyphenol;4-methylphenol
CID 158312507
bis(4-methoxyphenol);zirconium(2+);dichloride
CID 172849740
2-chlorobenzene-1,4-diol;2-methylbenzene-1,4-diol
CID 157388501
4-[3-(4-methoxyphenyl)pentan-3-yl]-2-methylphenol
CID 58775978
3,4-bis(4-methoxyphenoxy)phenol
CID 139941919
ethane;4-(4-methoxyphenyl)phenol
CID 161219857
4-[(4-methoxyphenyl)-phenylmethyl]-2-methylphenol
CID 10804464
4-(4-hydroxyphenoxy)-2,5-dimethylphenol
CID 18696457

Frequently Asked Questions

What is the IUPAC name of benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride?
The IUPAC name of benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride (CID 157366045) is benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride.
What is the SMILES notation for benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride?
The canonical SMILES for benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride is C.C.C.COc1ccc(O)cc1.Cc1cc(O)ccc1O.Oc1ccc(O)cc1.[H][3H].
What is the InChIKey of benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride?
The InChIKey is BJEPUPOHVCXPJV-ZKPGHZHMSA-N. The full InChI is InChI=1S/2C7H8O2.C6H6O2.3CH4.H2/c1-9-7-4-2-6(8)3-5-7;1-5-4-6(8)2-3-7(5)9;7-5-1-2-6(8)4-3-5;;;;/h2-5,8H,1H3;2-4,8-9H,1H3;1-4,7-8H;3*1H4;1H/i;;;;;;1+2.
What are the key properties of benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride?
benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride has a molecular weight of 410.54 g/mol, XLogP of 6.06, 1 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzene-1,4-diol;methane;4-methoxyphenol;2-methylbenzene-1,4-diol;tritium monohydride is sourced from PubChem (CID 157366045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).