4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol

C21H28O2 — CID 22999667

IUPAC4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
SMILESCCc1cc(Cc2cc(CC)c(O)c(CC)c2)cc(CC)c1O
InChIInChI=1S/C21H28O2/c1-5-16-10-14(11-17(6-2)20(16)22)9-15-12-18(7-3)21(23)19(8-4)13-15/h10-13,22-23H,5-9H2,1-4H3
InChIKeyJCURXVHMYGGRLO-UHFFFAOYSA-N
MW312.45 g/mol
LogP4.94
Rot. Bonds6

About 4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol

4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol (PubChem CID 22999667) has the molecular formula C21H28O2 and a molecular weight of 312.45 g/mol. Its IUPAC name is 4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol.

Molecular Properties

Compound Name4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
PubChem CID22999667
Molecular FormulaC21H28O2
Molecular Weight312.45 g/mol
Exact Mass312.21
IUPAC Name4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol
SMILESCCc1cc(Cc2cc(CC)c(O)c(CC)c2)cc(CC)c1O
InChIInChI=1S/C21H28O2/c1-5-16-10-14(11-17(6-2)20(16)22)9-15-12-18(7-3)21(23)19(8-4)13-15/h10-13,22-23H,5-9H2,1-4H3
InChIKeyJCURXVHMYGGRLO-UHFFFAOYSA-N
XLogP4.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.45
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-bis[(3-ethyl-4-hydroxy-5-methylphenyl)methyl]-4-methylphenol
CID 134464799
2-ethyl-6-[(4-hydroxy-3,5-dimethylphenyl)methyl]-4-methylphenol
CID 22011679
2,6-diethyl-4-pentylphenol
CID 66879488
N-[4-[[3,5-diethyl-4-(propan-2-ylideneamino)phenyl]methyl]-2,6-diethylphenyl]propan-2-imine
CID 86608149
2-bromo-6-ethyl-4-[(4-propan-2-ylphenyl)methyl]phenol
CID 23319418
2-butyl-6-ethyl-4-pentylphenol
CID 66879170
2-ethyl-4-heptyl-6-pentylphenol
CID 66879967
2-ethyl-6-pentyl-4-propylphenol
CID 66878892
4-ethyl-2,6-dipropylphenol
CID 66879596
2-[(3-ethyl-2-hydroxy-5-octylphenyl)methyl]-6-methyl-4-pentylphenol
CID 20741015
5-[(3,5-dimethylphenyl)methyl]-1,3-diethyl-2-methylbenzene
CID 145013287
3,5-diethyl-4-hydroxybenzonitrile
CID 21017

Frequently Asked Questions

What is the IUPAC name of 4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol?
The IUPAC name of 4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol (CID 22999667) is 4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol.
What is the SMILES notation for 4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol?
The canonical SMILES for 4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol is CCc1cc(Cc2cc(CC)c(O)c(CC)c2)cc(CC)c1O.
What is the InChIKey of 4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol?
The InChIKey is JCURXVHMYGGRLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28O2/c1-5-16-10-14(11-17(6-2)20(16)22)9-15-12-18(7-3)21(23)19(8-4)13-15/h10-13,22-23H,5-9H2,1-4H3.
What are the key properties of 4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol?
4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol has a molecular weight of 312.45 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3,5-diethyl-4-hydroxyphenyl)methyl]-2,6-diethylphenol is sourced from PubChem (CID 22999667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).