4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane

C23H26O4 — CID 157471030

IUPAC4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane
SMILESC.Cc1cc(-c2cc(-c3cc(C)c(O)cc3C)c(O)cc2O)c(C)cc1O
InChIInChI=1S/C22H22O4.CH4/c1-11-7-19(23)13(3)5-15(11)17-9-18(22(26)10-21(17)25)16-6-14(4)20(24)8-12(16)2;/h5-10,23-26H,1-4H3;1H4
InChIKeyBVARYJYPLAIEAG-UHFFFAOYSA-N
MW366.46 g/mol
LogP5.71
Rot. Bonds2

About 4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane

4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane (PubChem CID 157471030) has the molecular formula C23H26O4 and a molecular weight of 366.46 g/mol. Its IUPAC name is 4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane.

Molecular Properties

Compound Name4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane
PubChem CID157471030
Molecular FormulaC23H26O4
Molecular Weight366.46 g/mol
Exact Mass366.18
IUPAC Name4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane
SMILESC.Cc1cc(-c2cc(-c3cc(C)c(O)cc3C)c(O)cc2O)c(C)cc1O
InChIInChI=1S/C22H22O4.CH4/c1-11-7-19(23)13(3)5-15(11)17-9-18(22(26)10-21(17)25)16-6-14(4)20(24)8-12(16)2;/h5-10,23-26H,1-4H3;1H4
InChIKeyBVARYJYPLAIEAG-UHFFFAOYSA-N
XLogP5.71
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.71
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane?
The IUPAC name of 4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane (CID 157471030) is 4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane.
What is the SMILES notation for 4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane?
The canonical SMILES for 4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane is C.Cc1cc(-c2cc(-c3cc(C)c(O)cc3C)c(O)cc2O)c(C)cc1O.
What is the InChIKey of 4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane?
The InChIKey is BVARYJYPLAIEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22O4.CH4/c1-11-7-19(23)13(3)5-15(11)17-9-18(22(26)10-21(17)25)16-6-14(4)20(24)8-12(16)2;/h5-10,23-26H,1-4H3;1H4.
What are the key properties of 4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane?
4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane has a molecular weight of 366.46 g/mol, XLogP of 5.71, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(4-hydroxy-2,5-dimethylphenyl)benzene-1,3-diol;methane is sourced from PubChem (CID 157471030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).