2-(2,4-dimethylpentan-2-yl)phenol

C13H20O — CID 130033445

IUPAC2-(2,4-dimethylpentan-2-yl)phenol
SMILESCC(C)CC(C)(C)c1ccccc1O
InChIInChI=1S/C13H20O/c1-10(2)9-13(3,4)11-7-5-6-8-12(11)14/h5-8,10,14H,9H2,1-4H3
InChIKeyQNRXUEGXTFBHLA-UHFFFAOYSA-N
MW192.30 g/mol
LogP3.72
Rot. Bonds3

About 2-(2,4-dimethylpentan-2-yl)phenol

2-(2,4-dimethylpentan-2-yl)phenol (PubChem CID 130033445) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 2-(2,4-dimethylpentan-2-yl)phenol.

Molecular Properties

Compound Name2-(2,4-dimethylpentan-2-yl)phenol
PubChem CID130033445
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name2-(2,4-dimethylpentan-2-yl)phenol
SMILESCC(C)CC(C)(C)c1ccccc1O
InChIInChI=1S/C13H20O/c1-10(2)9-13(3,4)11-7-5-6-8-12(11)14/h5-8,10,14H,9H2,1-4H3
InChIKeyQNRXUEGXTFBHLA-UHFFFAOYSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(4-amino-2-methylpentan-2-yl)phenol
CID 143655608
2-[2-(2-hydroxyphenyl)propan-2-yl]phenol;hydrate
CID 162321834
2-(2,3-dimethylpentan-2-yl)phenol
CID 87923333
CID 172777673
CID 172777673
2-(2-chlorophenyl)-4-methylpentan-2-ol
CID 43810129
potassium;2-tert-butylphenol;hydride
CID 174648142
benzene;2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174709888
2-(2-hydroxyphenyl)-2-methylpropanal
CID 88788107
2-(2-phenylpropan-2-yl)phenol;hydrate
CID 174697950
2-(2,4,4-trimethylpentan-2-yl)phenol;4-(2,4,4-trimethylpentan-2-yl)phenol
CID 87507091
2-(2-hydroxyphenyl)-2-propan-2-yloxypropanoic acid
CID 84725487
2-[4-(dimethylamino)-2-hydroxy-3-methylbutan-2-yl]phenol
CID 142658969

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylpentan-2-yl)phenol?
The IUPAC name of 2-(2,4-dimethylpentan-2-yl)phenol (CID 130033445) is 2-(2,4-dimethylpentan-2-yl)phenol.
What is the SMILES notation for 2-(2,4-dimethylpentan-2-yl)phenol?
The canonical SMILES for 2-(2,4-dimethylpentan-2-yl)phenol is CC(C)CC(C)(C)c1ccccc1O.
What is the InChIKey of 2-(2,4-dimethylpentan-2-yl)phenol?
The InChIKey is QNRXUEGXTFBHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-10(2)9-13(3,4)11-7-5-6-8-12(11)14/h5-8,10,14H,9H2,1-4H3.
What are the key properties of 2-(2,4-dimethylpentan-2-yl)phenol?
2-(2,4-dimethylpentan-2-yl)phenol has a molecular weight of 192.30 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylpentan-2-yl)phenol is sourced from PubChem (CID 130033445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).