2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane

C29H40O3 — CID 90702119

IUPAC2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane
SMILESCC.CC.Cc1cc(Cc2cc(C)c(O)cc2C)c(O)c(Cc2cc(C)c(O)cc2C)c1
InChIInChI=1S/C25H28O3.2C2H6/c1-14-6-21(12-19-8-17(4)23(26)10-15(19)2)25(28)22(7-14)13-20-9-18(5)24(27)11-16(20)3;2*1-2/h6-11,26-28H,12-13H2,1-5H3;2*1-2H3
InChIKeyUEOYPGHMBWFMEO-UHFFFAOYSA-N
MW436.64 g/mol
LogP7.58
Rot. Bonds4

About 2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane

2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane (PubChem CID 90702119) has the molecular formula C29H40O3 and a molecular weight of 436.64 g/mol. Its IUPAC name is 2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane.

Molecular Properties

Compound Name2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane
PubChem CID90702119
Molecular FormulaC29H40O3
Molecular Weight436.64 g/mol
Exact Mass436.30
IUPAC Name2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane
SMILESCC.CC.Cc1cc(Cc2cc(C)c(O)cc2C)c(O)c(Cc2cc(C)c(O)cc2C)c1
InChIInChI=1S/C25H28O3.2C2H6/c1-14-6-21(12-19-8-17(4)23(26)10-15(19)2)25(28)22(7-14)13-20-9-18(5)24(27)11-16(20)3;2*1-2/h6-11,26-28H,12-13H2,1-5H3;2*1-2H3
InChIKeyUEOYPGHMBWFMEO-UHFFFAOYSA-N
XLogP7.58
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.64
LogP ≤ 57.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-hydroxy-2,5-dimethylphenyl)methyl]benzene-1,2,3-triol
CID 18366423
4-[(2-hydroxyphenyl)methyl]-2,5-dimethylphenol
CID 18000570
4-[(4,5-dihydroxy-2-methylphenyl)methyl]-5-methylbenzene-1,2-diol
CID 22925792
2,5-bis[(2-hydroxy-3,5-dimethylphenyl)methyl]benzene-1,4-diol
CID 58625699
2-bromo-6-[(3-bromo-2-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 23386525
4-[[2-hydroxy-3-[[4-hydroxy-3-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-2,5-dimethylphenyl]methyl]-5-methylphenyl]methyl]-2-[(6-hydroxy-2,3,4-trimethylphenyl)methyl]-3,6-dimethylphenol
CID 18336098
2,6-bis[(2-hydroxy-5-methylphenyl)methyl]-4-methylphenol;phosphane
CID 174155977
4-[(2,4-dimethylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 162304055
2-[[2-hydroxy-3-[(2-hydroxy-3,5-dimethylphenyl)methoxymethyl]-5-methylphenyl]methyl]-4,6-dimethylphenol
CID 118528705
4-[(2-hydroxy-5-methylphenyl)methyl]-6-methylbenzene-1,3-diol
CID 70116122
4-chloro-6-[[3-[(5-chloro-2,4-dihydroxyphenyl)methyl]-2-hydroxy-5-methylphenyl]methyl]benzene-1,3-diol
CID 15095946
2,6-bis[[5-(aminomethyl)-2-hydroxy-3-(hydroxymethyl)phenyl]methyl]-4-methylphenol
CID 151086831

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane?
The IUPAC name of 2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane (CID 90702119) is 2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane.
What is the SMILES notation for 2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane?
The canonical SMILES for 2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane is CC.CC.Cc1cc(Cc2cc(C)c(O)cc2C)c(O)c(Cc2cc(C)c(O)cc2C)c1.
What is the InChIKey of 2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane?
The InChIKey is UEOYPGHMBWFMEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28O3.2C2H6/c1-14-6-21(12-19-8-17(4)23(26)10-15(19)2)25(28)22(7-14)13-20-9-18(5)24(27)11-16(20)3;2*1-2/h6-11,26-28H,12-13H2,1-5H3;2*1-2H3.
What are the key properties of 2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane?
2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane has a molecular weight of 436.64 g/mol, XLogP of 7.58, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[(4-hydroxy-2,5-dimethylphenyl)methyl]-4-methylphenol;ethane is sourced from PubChem (CID 90702119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).