4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol

C20H26O2 — CID 15570439

IUPAC4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol
SMILESCCCC(c1cc(C)c(O)c(C)c1)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C20H26O2/c1-6-7-18(16-8-12(2)19(21)13(3)9-16)17-10-14(4)20(22)15(5)11-17/h8-11,18,21-22H,6-7H2,1-5H3
InChIKeyJZTRTASDMYYCMP-UHFFFAOYSA-N
MW298.43 g/mol
LogP5.26
Rot. Bonds4

About 4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol

4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol (PubChem CID 15570439) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol
PubChem CID15570439
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol
SMILESCCCC(c1cc(C)c(O)c(C)c1)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C20H26O2/c1-6-7-18(16-8-12(2)19(21)13(3)9-16)17-10-14(4)20(22)15(5)11-17/h8-11,18,21-22H,6-7H2,1-5H3
InChIKeyJZTRTASDMYYCMP-UHFFFAOYSA-N
XLogP5.26
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.43
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-(4-hydroxy-3,5-dimethylphenyl)octyl]-2,6-dimethylphenol
CID 135345606
2,6-dimethyl-4-[1,5,5-tris(4-hydroxy-3,5-dimethylphenyl)pentyl]phenol
CID 10460281
2-tert-butyl-4-[1-(3-tert-butyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 22019961
4-(1-aminobutyl)-2,6-dimethylphenol
CID 55296178
2-cyclohexyl-4-[1-(3-cyclohexyl-4-hydroxy-5-methylphenyl)butyl]-6-methylphenol
CID 19940310
2-butyl-5-[1-(4-butyl-3-hydroxy-5-methylphenyl)butyl]-3-methylphenol
CID 101311632
4-[2-chloro-1-(4-hydroxy-3,5-dimethylphenyl)ethyl]-2,6-dimethylphenol
CID 11044941
5,5-bis(4-hydroxy-3,5-dimethylphenyl)pentanoic acid
CID 57316955
1-[1-(3,5-dimethylphenyl)butyl]-3,5-dimethylbenzene
CID 19990134
4-[(1R,2S)-1-amino-2-hydroxypentyl]-2,6-dimethylphenol;hydrochloride
CID 171262455
4-[1,1-bis(4-hydroxy-3-methyl-5-propan-2-ylphenyl)hexan-3-yl]-2-methyl-6-propan-2-ylphenol
CID 174807107
5-(1-phenylbutyl)benzene-1,3-diol
CID 151074904

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol?
The IUPAC name of 4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol (CID 15570439) is 4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol is CCCC(c1cc(C)c(O)c(C)c1)c1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol?
The InChIKey is JZTRTASDMYYCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O2/c1-6-7-18(16-8-12(2)19(21)13(3)9-16)17-10-14(4)20(22)15(5)11-17/h8-11,18,21-22H,6-7H2,1-5H3.
What are the key properties of 4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol?
4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol has a molecular weight of 298.43 g/mol, XLogP of 5.26, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-3,5-dimethylphenyl)butyl]-2,6-dimethylphenol is sourced from PubChem (CID 15570439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).