4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol

C22H30O2 — CID 67061686

IUPAC4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol
SMILESCc1cc(CCCC(C)Cc2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C22H30O2/c1-14(9-20-12-17(4)22(24)18(5)13-20)7-6-8-19-10-15(2)21(23)16(3)11-19/h10-14,23-24H,6-9H2,1-5H3
InChIKeyCSWAYVVERVGMFA-UHFFFAOYSA-N
MW326.48 g/mol
LogP5.53
Rot. Bonds6

About 4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol

4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol (PubChem CID 67061686) has the molecular formula C22H30O2 and a molecular weight of 326.48 g/mol. Its IUPAC name is 4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol
PubChem CID67061686
Molecular FormulaC22H30O2
Molecular Weight326.48 g/mol
Exact Mass326.22
IUPAC Name4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol
SMILESCc1cc(CCCC(C)Cc2cc(C)c(O)c(C)c2)cc(C)c1O
InChIInChI=1S/C22H30O2/c1-14(9-20-12-17(4)22(24)18(5)13-20)7-6-8-19-10-15(2)21(23)16(3)11-19/h10-14,23-24H,6-9H2,1-5H3
InChIKeyCSWAYVVERVGMFA-UHFFFAOYSA-N
XLogP5.53
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.48
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[6-(4-hydroxy-3,5-dimethylphenyl)hexyl]-2,6-dimethylphenol
CID 174910624
2,6-dimethyl-4-pentylphenol
CID 22625507
4-hexatriacontyl-2,6-dimethylphenol
CID 71335537
2,6-dimethyl-4-octadecylphenol
CID 66619575
4-[12-(4-hydroxy-3-methyl-5-propan-2-ylphenyl)dodecyl]-2-methyl-6-propan-2-ylphenol
CID 19003421
5-(4-hydroxy-3,5-dimethylphenyl)pentanal
CID 10058811
4-(3-hydroxy-3-iodopropyl)-2,6-dimethylphenol
CID 67909591
1,3,5-tris(4-methylhexyl)benzene
CID 101071559
bis(4-[3-[chloro(dimethyl)silyl]propyl]-2,6-dimethylphenol);dichlorotitanium
CID 158610107
4-(4-methyl-5-phenylpentyl)phenol
CID 158681288
2-[[2-hydroxy-5-(3-hydroxypropyl)-3-methylphenyl]methyl]-4-(3-hydroxypropyl)-6-methylphenol
CID 58863008
3,4-bis[(4-hydroxy-3,5-dimethylphenyl)methyl]hexanedioic acid
CID 67989850

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol?
The IUPAC name of 4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol (CID 67061686) is 4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol is Cc1cc(CCCC(C)Cc2cc(C)c(O)c(C)c2)cc(C)c1O.
What is the InChIKey of 4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol?
The InChIKey is CSWAYVVERVGMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30O2/c1-14(9-20-12-17(4)22(24)18(5)13-20)7-6-8-19-10-15(2)21(23)16(3)11-19/h10-14,23-24H,6-9H2,1-5H3.
What are the key properties of 4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol?
4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol has a molecular weight of 326.48 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-hydroxy-3,5-dimethylphenyl)-4-methylpentyl]-2,6-dimethylphenol is sourced from PubChem (CID 67061686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).