4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol

C21H20O6 — CID 135158107

IUPAC4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol
SMILESCc1ccc(O)c(Oc2ccc(O)c(OCc3ccc(O)cc3O)c2C)c1
InChIInChI=1S/C21H20O6/c1-12-3-6-16(23)20(9-12)27-19-8-7-17(24)21(13(19)2)26-11-14-4-5-15(22)10-18(14)25/h3-10,22-25H,11H2,1-2H3
InChIKeyCWUUGWWCVSKWGH-UHFFFAOYSA-N
MW368.39 g/mol
LogP4.50
Rot. Bonds5

About 4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol

4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol (PubChem CID 135158107) has the molecular formula C21H20O6 and a molecular weight of 368.39 g/mol. Its IUPAC name is 4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol
PubChem CID135158107
Molecular FormulaC21H20O6
Molecular Weight368.39 g/mol
Exact Mass368.13
IUPAC Name4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol
SMILESCc1ccc(O)c(Oc2ccc(O)c(OCc3ccc(O)cc3O)c2C)c1
InChIInChI=1S/C21H20O6/c1-12-3-6-16(23)20(9-12)27-19-8-7-17(24)21(13(19)2)26-11-14-4-5-15(22)10-18(14)25/h3-10,22-25H,11H2,1-2H3
InChIKeyCWUUGWWCVSKWGH-UHFFFAOYSA-N
XLogP4.50
TPSA99.38 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 54.50
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2,5-dimethylphenoxy)-2,3-dimethylphenol
CID 18994510
2-[(3-hydroxyphenoxy)methyl]-5-methylphenol
CID 117221141
5-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]phenol
CID 117221012
2-(hydroperoxymethyl)-5-methylphenol
CID 21351355
5-methyl-2-[(3-methylphenoxy)methyl]phenol
CID 117221129
2-[(2-bromophenoxy)methyl]-5-methylphenol
CID 117221024
2,4-diethoxy-3-methylphenol
CID 11030728
2-[(4-bromophenoxy)methyl]-5-methylphenol
CID 117221239
2-(2,4-dimethylphenoxy)phenol
CID 91665530
5-methoxy-2-[(4-methylphenoxy)methyl]phenol
CID 117221283
2-[3-(4-hydroxy-2,3-dimethylphenyl)propyl]benzene-1,4-diol;4-[3-(4-methoxy-2,3-dimethylphenyl)propyl]benzene-1,3-diol
CID 161189941
2-[(4-methylphenoxy)methyl]-5-(trifluoromethyl)phenol
CID 117221211

Frequently Asked Questions

What is the IUPAC name of 4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol?
The IUPAC name of 4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol (CID 135158107) is 4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol.
What is the SMILES notation for 4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol?
The canonical SMILES for 4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol is Cc1ccc(O)c(Oc2ccc(O)c(OCc3ccc(O)cc3O)c2C)c1.
What is the InChIKey of 4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol?
The InChIKey is CWUUGWWCVSKWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20O6/c1-12-3-6-16(23)20(9-12)27-19-8-7-17(24)21(13(19)2)26-11-14-4-5-15(22)10-18(14)25/h3-10,22-25H,11H2,1-2H3.
What are the key properties of 4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol?
4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol has a molecular weight of 368.39 g/mol, XLogP of 4.50, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-hydroxy-3-(2-hydroxy-5-methylphenoxy)-2-methylphenoxy]methyl]benzene-1,3-diol is sourced from PubChem (CID 135158107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).