4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol

C15H24O — CID 521263

IUPAC4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCc1ccc(O)c(C(C)(C)CC(C)(C)C)c1
InChIInChI=1S/C15H24O/c1-11-7-8-13(16)12(9-11)15(5,6)10-14(2,3)4/h7-9,16H,10H2,1-6H3
InChIKeyMWJFTXUNWYQEIU-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.41
Rot. Bonds2

About 4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol

4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol (PubChem CID 521263) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol
PubChem CID521263
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol
SMILESCc1ccc(O)c(C(C)(C)CC(C)(C)C)c1
InChIInChI=1S/C15H24O/c1-11-7-8-13(16)12(9-11)15(5,6)10-14(2,3)4/h7-9,16H,10H2,1-6H3
InChIKeyMWJFTXUNWYQEIU-UHFFFAOYSA-N
XLogP4.41
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

[4-(2-hydroxy-5-methylphenyl)-2,4-dimethylpentan-2-yl]phosphonic acid
CID 88685317
4,5-dimethyl-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 154203171
4-(3-hydroxypropyl)-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 22734658
4-[2-(4-hydroxyphenyl)propan-2-yl]-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 58983865
4-methyl-5-(2,4,4-trimethylpentan-2-yl)benzene-1,2-diol
CID 156787448
bis(2-tert-butyl-4-methylphenol);dichlorozirconium
CID 21185304
2-[2-[[2-(2-hydroxy-5-methylphenyl)-4-(2,4,4-trimethylpentan-2-yl)benzotriazol-2-ium-2-yl]methyl]-4-(2,4,4-trimethylpentan-2-yl)benzotriazol-2-ium-2-yl]-4-methylphenol
CID 91279273
2-[4-hydroxy-3-(2,4,4-trimethylpentan-2-yl)benzoyl]benzoic acid
CID 139838896
ethyl 2-hydroxy-2-(2-hydroxy-5-methylphenyl)propanoate
CID 13307804
2-(2,4,4-trimethylpentan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 87507091
5-methoxy-2-(2,4,4-trimethylpentan-2-yl)phenol
CID 154383350
1,2-bis(2,4,4-trimethylpentan-2-yl)benzene
CID 19766935

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol?
The IUPAC name of 4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol (CID 521263) is 4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol.
What is the SMILES notation for 4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol?
The canonical SMILES for 4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol is Cc1ccc(O)c(C(C)(C)CC(C)(C)C)c1.
What is the InChIKey of 4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol?
The InChIKey is MWJFTXUNWYQEIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-11-7-8-13(16)12(9-11)15(5,6)10-14(2,3)4/h7-9,16H,10H2,1-6H3.
What are the key properties of 4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol?
4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol has a molecular weight of 220.36 g/mol, XLogP of 4.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(2,4,4-trimethylpentan-2-yl)phenol is sourced from PubChem (CID 521263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).