4-(2,4,6-trimethylphenyl)butan-2-ol

C13H20O — CID 6428773

IUPAC4-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCc1cc(C)c(CCC(C)O)c(C)c1
InChIInChI=1S/C13H20O/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h7-8,12,14H,5-6H2,1-4H3
InChIKeyHAIYXQAXONYOHC-UHFFFAOYSA-N
MW192.30 g/mol
LogP2.93
Rot. Bonds3

About 4-(2,4,6-trimethylphenyl)butan-2-ol

4-(2,4,6-trimethylphenyl)butan-2-ol (PubChem CID 6428773) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-(2,4,6-trimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name4-(2,4,6-trimethylphenyl)butan-2-ol
PubChem CID6428773
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-(2,4,6-trimethylphenyl)butan-2-ol
SMILESCc1cc(C)c(CCC(C)O)c(C)c1
InChIInChI=1S/C13H20O/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h7-8,12,14H,5-6H2,1-4H3
InChIKeyHAIYXQAXONYOHC-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 15586718
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4-Phenyl-2-butanol
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CID 108312
1-Phenyl-2-pentanol
CID 61202
2-Methylphenethyl alcohol
CID 88267
Dimethyl phenylbutanol
CID 99870
2-Methyl-4-phenyl-1-pentanol
CID 3021997
3,4-Dimethylbenzyl alcohol
CID 23407
p-tert-Butylphenethyl alcohol
CID 79410
2-Benzylheptan-1-ol
CID 64916
Benzeneethanol, 4-(1-methylethyl)-
CID 82349

Frequently Asked Questions

What is the IUPAC name of 4-(2,4,6-trimethylphenyl)butan-2-ol?
The IUPAC name of 4-(2,4,6-trimethylphenyl)butan-2-ol (CID 6428773) is 4-(2,4,6-trimethylphenyl)butan-2-ol.
What is the SMILES notation for 4-(2,4,6-trimethylphenyl)butan-2-ol?
The canonical SMILES for 4-(2,4,6-trimethylphenyl)butan-2-ol is Cc1cc(C)c(CCC(C)O)c(C)c1.
What is the InChIKey of 4-(2,4,6-trimethylphenyl)butan-2-ol?
The InChIKey is HAIYXQAXONYOHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O/c1-9-7-10(2)13(11(3)8-9)6-5-12(4)14/h7-8,12,14H,5-6H2,1-4H3.
What are the key properties of 4-(2,4,6-trimethylphenyl)butan-2-ol?
4-(2,4,6-trimethylphenyl)butan-2-ol has a molecular weight of 192.30 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4,6-trimethylphenyl)butan-2-ol is sourced from PubChem (CID 6428773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).