3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol

C23H24O3 — CID 54300976

IUPAC3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol
SMILESCc1cccc(Cc2ccc(Cc3cccc(O)c3C)c(O)c2C)c1O
InChIInChI=1S/C23H24O3/c1-14-6-4-8-19(22(14)25)13-18-10-11-20(23(26)16(18)3)12-17-7-5-9-21(24)15(17)2/h4-11,24-26H,12-13H2,1-3H3
InChIKeySEDARBSYYMSZEW-UHFFFAOYSA-N
MW348.44 g/mol
LogP4.91
Rot. Bonds4

About 3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol

3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol (PubChem CID 54300976) has the molecular formula C23H24O3 and a molecular weight of 348.44 g/mol. Its IUPAC name is 3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol.

Molecular Properties

Compound Name3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol
PubChem CID54300976
Molecular FormulaC23H24O3
Molecular Weight348.44 g/mol
Exact Mass348.17
IUPAC Name3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol
SMILESCc1cccc(Cc2ccc(Cc3cccc(O)c3C)c(O)c2C)c1O
InChIInChI=1S/C23H24O3/c1-14-6-4-8-19(22(14)25)13-18-10-11-20(23(26)16(18)3)12-17-7-5-9-21(24)15(17)2/h4-11,24-26H,12-13H2,1-3H3
InChIKeySEDARBSYYMSZEW-UHFFFAOYSA-N
XLogP4.91
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.44
LogP ≤ 54.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-hydroxy-3-methylphenyl)methyl]-6-methylphenol
CID 164967326
2-[[2-hydroxy-3-[(2-hydroxy-3-methylphenyl)methyl]phenyl]methyl]-6-methylphenol
CID 20768179
4-[(2-hydroxy-3-methylphenyl)methyl]-2,6-dimethylphenol
CID 22278094
2-[(4-hydroxyphenyl)methyl]-6-methylphenol
CID 91146240
2-[(3-hydroxy-4-methylphenyl)methyl]-6-methylphenol
CID 66843449
2-tert-butyl-6-[(2,3-dimethylphenyl)methyl]phenol
CID 22216122
4-[(2-hydroxy-3,5,6-trimethylphenyl)methyl]-2-methylbenzene-1,3-diol
CID 155168572
3-methylbenzene-1,2-diol
CID 135381405
2-[[bis[(2-hydroxy-3-methylphenyl)methyl]-methylsilyl]methyl]-6-methylphenol
CID 71653781
3-(2-hydroxy-2-methylpropyl)-2-methylphenol
CID 154515980
3-ethylbenzene-1,2-diol;3-methylbenzene-1,2-diol
CID 158712110
tris[(2-hydroxy-3-methylphenyl)methyl]-methylazanium
CID 140618052

Frequently Asked Questions

What is the IUPAC name of 3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol?
The IUPAC name of 3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol (CID 54300976) is 3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol.
What is the SMILES notation for 3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol?
The canonical SMILES for 3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol is Cc1cccc(Cc2ccc(Cc3cccc(O)c3C)c(O)c2C)c1O.
What is the InChIKey of 3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol?
The InChIKey is SEDARBSYYMSZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24O3/c1-14-6-4-8-19(22(14)25)13-18-10-11-20(23(26)16(18)3)12-17-7-5-9-21(24)15(17)2/h4-11,24-26H,12-13H2,1-3H3.
What are the key properties of 3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol?
3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol has a molecular weight of 348.44 g/mol, XLogP of 4.91, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-hydroxy-3-methylphenyl)methyl]-6-[(3-hydroxy-2-methylphenyl)methyl]-2-methylphenol is sourced from PubChem (CID 54300976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).