2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol

C14H22O2 — CID 117318718

IUPAC2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol
SMILESCc1cc(C(C)(C)C)c(O)cc1C(C)(C)O
InChIInChI=1S/C14H22O2/c1-9-7-11(13(2,3)4)12(15)8-10(9)14(5,6)16/h7-8,15-16H,1-6H3
InChIKeyXGDDPOOJFGICDF-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.23
Rot. Bonds1

About 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol

2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol (PubChem CID 117318718) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol.

Molecular Properties

Compound Name2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol
PubChem CID117318718
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol
SMILESCc1cc(C(C)(C)C)c(O)cc1C(C)(C)O
InChIInChI=1S/C14H22O2/c1-9-7-11(13(2,3)4)12(15)8-10(9)14(5,6)16/h7-8,15-16H,1-6H3
InChIKeyXGDDPOOJFGICDF-UHFFFAOYSA-N
XLogP3.23
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol 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

2,4-ditert-butyl-5-methylphenol
CID 10346
2,4-ditert-butyl-5-methylphenol;titanium
CID 174406764
2-tert-butyl-5-methyl-4-[2,3,3-tris(5-tert-butyl-4-hydroxy-2-methylphenyl)butan-2-yl]phenol
CID 160646007
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methoxyphenol
CID 117349561
2-tert-butyl-5-methyl-4-propan-2-ylphenol
CID 14266735
4-tert-butyl-5-hydroxy-2-methylbenzonitrile
CID 117281522
2-tert-butyl-5-methyl-4-(3-methylbutan-2-yl)phenol
CID 58510517
4-(5-tert-butyl-4-hydroxy-2-methylphenyl)sulfanyl-2,5-dimethylphenol
CID 59518347
2-tert-butyl-4-[(5-tert-butyl-4-hydroxy-2-methylphenyl)disulfanyl]-5-methylphenol
CID 15919604
2-(2-hydroxypropan-2-yl)-4-iodo-5-methylphenol
CID 162410657
4-(2-hydroxypropan-2-yl)-2,3,6-trimethylphenol
CID 117113905
2-tert-butyl-4-methyl-5-[(1R)-1-phenylethyl]phenol
CID 1270910

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol?
The IUPAC name of 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol (CID 117318718) is 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol.
What is the SMILES notation for 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol?
The canonical SMILES for 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol is Cc1cc(C(C)(C)C)c(O)cc1C(C)(C)O.
What is the InChIKey of 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol?
The InChIKey is XGDDPOOJFGICDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-9-7-11(13(2,3)4)12(15)8-10(9)14(5,6)16/h7-8,15-16H,1-6H3.
What are the key properties of 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol?
2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol has a molecular weight of 222.33 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-hydroxypropan-2-yl)-4-methylphenol is sourced from PubChem (CID 117318718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).