2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol

C15H24O — CID 64984867

IUPAC2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol
SMILESCCC(O)(c1cc(C)c(C)cc1C)C(C)C
InChIInChI=1S/C15H24O/c1-7-15(16,10(2)3)14-9-12(5)11(4)8-13(14)6/h8-10,16H,7H2,1-6H3
InChIKeyYFXVQSQJSRQXBC-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.87
Rot. Bonds3

About 2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol

2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol (PubChem CID 64984867) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol.

Molecular Properties

Compound Name2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol
PubChem CID64984867
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol
SMILESCCC(O)(c1cc(C)c(C)cc1C)C(C)C
InChIInChI=1S/C15H24O/c1-7-15(16,10(2)3)14-9-12(5)11(4)8-13(14)6/h8-10,16H,7H2,1-6H3
InChIKeyYFXVQSQJSRQXBC-UHFFFAOYSA-N
XLogP3.87
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol?
The IUPAC name of 2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol (CID 64984867) is 2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol.
What is the SMILES notation for 2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol?
The canonical SMILES for 2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol is CCC(O)(c1cc(C)c(C)cc1C)C(C)C.
What is the InChIKey of 2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol?
The InChIKey is YFXVQSQJSRQXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-7-15(16,10(2)3)14-9-12(5)11(4)8-13(14)6/h8-10,16H,7H2,1-6H3.
What are the key properties of 2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol?
2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol has a molecular weight of 220.36 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol is sourced from PubChem (CID 64984867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).