4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol

C19H24O2 — CID 22571327

IUPAC4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol
SMILESCCC(c1cc(C)c(O)cc1C)c1cc(C)c(O)cc1C
InChIInChI=1S/C19H24O2/c1-6-15(16-7-13(4)18(20)9-11(16)2)17-8-14(5)19(21)10-12(17)3/h7-10,15,20-21H,6H2,1-5H3
InChIKeyWKHISMNFYNDMLP-UHFFFAOYSA-N
MW284.40 g/mol
LogP4.87
Rot. Bonds3

About 4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol

4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol (PubChem CID 22571327) has the molecular formula C19H24O2 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol.

Molecular Properties

Compound Name4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol
PubChem CID22571327
Molecular FormulaC19H24O2
Molecular Weight284.40 g/mol
Exact Mass284.18
IUPAC Name4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol
SMILESCCC(c1cc(C)c(O)cc1C)c1cc(C)c(O)cc1C
InChIInChI=1S/C19H24O2/c1-6-15(16-7-13(4)18(20)9-11(16)2)17-8-14(5)19(21)10-12(17)3/h7-10,15,20-21H,6H2,1-5H3
InChIKeyWKHISMNFYNDMLP-UHFFFAOYSA-N
XLogP4.87
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol
CID 22947162
4-[1,3-bis(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-2,5-dimethylphenol;propane
CID 158091372
4-[(1R)-1-amino-3-hydroxypropyl]-2,5-dimethylphenol
CID 131128288
2,5-dimethyl-4-(1-phenylethyl)phenol
CID 44719973
4-[(1S,2S)-1-amino-2-hydroxypropyl]-2,5-dimethylphenol
CID 130606708
4-[[4-[bis(4-hydroxy-2,5-dimethylphenyl)methyl]naphthalen-1-yl]-(4-hydroxy-2,5-dimethylphenyl)methyl]-2,5-dimethylphenol
CID 138464044
4-[(1R)-1-aminoprop-2-enyl]-2,5-dimethylphenol
CID 130612517
2-[1-(2,5-dihydroxyphenyl)propyl]benzene-1,4-diol
CID 56611171
2-tert-butyl-4-[1-(5-tert-butyl-4-hydroxy-2-methylphenyl)butyl]-5-methylphenol
CID 162123967
4-butan-2-yl-2-chloro-5-methylphenol
CID 71372422
2,4-dimethyl-5-(4-methylpent-4-en-2-yl)phenol
CID 89408042
2-[1-(2,5-dihydroxy-4-methylphenyl)-3-[dihydroxy(methyl)silyl]propyl]-5-methylbenzene-1,4-diol
CID 71348439

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol?
The IUPAC name of 4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol (CID 22571327) is 4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol.
What is the SMILES notation for 4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol?
The canonical SMILES for 4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol is CCC(c1cc(C)c(O)cc1C)c1cc(C)c(O)cc1C.
What is the InChIKey of 4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol?
The InChIKey is WKHISMNFYNDMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24O2/c1-6-15(16-7-13(4)18(20)9-11(16)2)17-8-14(5)19(21)10-12(17)3/h7-10,15,20-21H,6H2,1-5H3.
What are the key properties of 4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol?
4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol has a molecular weight of 284.40 g/mol, XLogP of 4.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(4-hydroxy-2,5-dimethylphenyl)propyl]-2,5-dimethylphenol is sourced from PubChem (CID 22571327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).