2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol

C14H22O — CID 82470365

IUPAC2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol
SMILESCc1cc(C)c(CCC(C)(C)O)cc1C
InChIInChI=1S/C14H22O/c1-10-8-12(3)13(9-11(10)2)6-7-14(4,5)15/h8-9,15H,6-7H2,1-5H3
InChIKeyXQKVVSZJYWGPIB-UHFFFAOYSA-N
MW206.33 g/mol
LogP3.32
Rot. Bonds3

About 2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol

2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol (PubChem CID 82470365) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is 2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol
PubChem CID82470365
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol
SMILESCc1cc(C)c(CCC(C)(C)O)cc1C
InChIInChI=1S/C14H22O/c1-10-8-12(3)13(9-11(10)2)6-7-14(4,5)15/h8-9,15H,6-7H2,1-5H3
InChIKeyXQKVVSZJYWGPIB-UHFFFAOYSA-N
XLogP3.32
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(4-methoxy-2,5-dimethylphenyl)-2-methylpentan-2-ol
CID 94686940
6-(4-methoxy-2,5-dimethylphenyl)-2-methylhexan-2-ol
CID 98016089
4-(2-fluoro-4-methylphenyl)-2-methylbutan-2-ol
CID 142361288
4-(4-methoxy-2,3-dimethylphenyl)-2-methylbutan-2-ol
CID 82473076
2-(2,4,5-trimethylphenyl)ethanamine;hydrochloride
CID 54602364
4-(5-fluoro-2-methoxyphenyl)-2-methylbutan-2-ol
CID 82113404
4-(5-chloro-2-fluorophenyl)-2-methylbutan-2-ol
CID 82471705
2-methyl-1-(2,4,5-trimethylphenyl)propan-2-amine
CID 82281489
N,4,4-trimethyl-1-(2,4,5-trimethylphenyl)pentan-3-amine
CID 64989716
5-[5-(4-carboxy-4-methylpentyl)-2,4-dimethylphenyl]-2,2-dimethylpentanoic acid
CID 155596494
1-(2-methoxy-4,5-dimethylphenyl)-2-methylpropan-2-ol
CID 82126628
2-methyl-1-[(2,4,5-trimethylphenyl)methylamino]butan-2-ol
CID 63932252

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol?
The IUPAC name of 2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol (CID 82470365) is 2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol.
What is the SMILES notation for 2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol?
The canonical SMILES for 2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol is Cc1cc(C)c(CCC(C)(C)O)cc1C.
What is the InChIKey of 2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol?
The InChIKey is XQKVVSZJYWGPIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O/c1-10-8-12(3)13(9-11(10)2)6-7-14(4,5)15/h8-9,15H,6-7H2,1-5H3.
What are the key properties of 2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol?
2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol has a molecular weight of 206.33 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(2,4,5-trimethylphenyl)butan-2-ol is sourced from PubChem (CID 82470365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).