ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol

C26H32O2 — CID 143591911

IUPACethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol
SMILESCC.Cc1cccc(C(c2cc(C)c(O)cc2C)c2cc(C)cc(C)c2O)c1
InChIInChI=1S/C24H26O2.C2H6/c1-14-7-6-8-19(10-14)23(20-12-17(4)22(25)13-16(20)3)21-11-15(2)9-18(5)24(21)26;1-2/h6-13,23,25-26H,1-5H3;1-2H3
InChIKeyJHPJWNIOXVRNAV-UHFFFAOYSA-N
MW376.54 g/mol
LogP6.85
Rot. Bonds3

About ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol

ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol (PubChem CID 143591911) has the molecular formula C26H32O2 and a molecular weight of 376.54 g/mol. Its IUPAC name is ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol.

Molecular Properties

Compound Nameethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol
PubChem CID143591911
Molecular FormulaC26H32O2
Molecular Weight376.54 g/mol
Exact Mass376.24
IUPAC Nameethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol
SMILESCC.Cc1cccc(C(c2cc(C)c(O)cc2C)c2cc(C)cc(C)c2O)c1
InChIInChI=1S/C24H26O2.C2H6/c1-14-7-6-8-19(10-14)23(20-12-17(4)22(25)13-16(20)3)21-11-15(2)9-18(5)24(21)26;1-2/h6-13,23,25-26H,1-5H3;1-2H3
InChIKeyJHPJWNIOXVRNAV-UHFFFAOYSA-N
XLogP6.85
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.54
LogP ≤ 56.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Related Compounds

benzhydrylbenzene;ethane;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol;methanol
CID 159315795
4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,6-dimethylphenol
CID 69478523
2,6-bis[bis(4-hydroxy-3-methylphenyl)methyl]-4-methylphenol
CID 86179554
2-[(2-hydroxy-3,5-dimethylphenyl)-thiophen-2-ylmethyl]-4,6-dimethylphenol
CID 19351800
2-[[2-hydroxy-3-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-5-methylphenyl]-phenylmethyl]-6-[(2-hydroxy-5-methylphenyl)-phenylmethyl]-4-methylphenol
CID 23156103
4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-2,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]-2,6-dimethylphenol;4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 167664595
4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
CID 138464044
2-[(2-bromophenyl)-(2-hydroxy-3,5-dimethylphenyl)methyl]-4,6-dimethylphenol
CID 122229752
2-[(2-hydroxy-3,5-dimethylphenyl)-pyridin-2-ylmethyl]-4,6-dimethylphenol
CID 23600058
(3-methylphenyl)-(2,4,5-trimethylphenyl)methanol
CID 64985341
2,5-dimethyl-4-(1-phenylethyl)phenol
CID 44719973
4-[bis(4-hydroxyphenyl)methyl]phenol;4-[(2,4-dihydroxy-3-methylphenyl)-(4-methylphenyl)methyl]-2-methylbenzene-1,3-diol;4-[(4-hydroxy-2,5-dimethylphenyl)-(2-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-2,5-dimethylphenyl)-(4-hydroxyphenyl)methyl]-2,5-dimethylphenol;4-[(4-hydroxy-3-methylphenyl)-(4-hydroxyphenyl)methyl]-2-methylphenol
CID 162202789

Frequently Asked Questions

What is the IUPAC name of ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol?
The IUPAC name of ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol (CID 143591911) is ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol.
What is the SMILES notation for ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol?
The canonical SMILES for ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol is CC.Cc1cccc(C(c2cc(C)c(O)cc2C)c2cc(C)cc(C)c2O)c1.
What is the InChIKey of ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol?
The InChIKey is JHPJWNIOXVRNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26O2.C2H6/c1-14-7-6-8-19(10-14)23(20-12-17(4)22(25)13-16(20)3)21-11-15(2)9-18(5)24(21)26;1-2/h6-13,23,25-26H,1-5H3;1-2H3.
What are the key properties of ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol?
ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol has a molecular weight of 376.54 g/mol, XLogP of 6.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[(4-hydroxy-2,5-dimethylphenyl)-(3-methylphenyl)methyl]-4,6-dimethylphenol is sourced from PubChem (CID 143591911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).