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

C15H24O — CID 64990325

IUPAC4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol
SMILESCc1cc(C)c(C(C)(C)CC(C)O)cc1C
InChIInChI=1S/C15H24O/c1-10-7-12(3)14(8-11(10)2)15(5,6)9-13(4)16/h7-8,13,16H,9H2,1-6H3
InChIKeyWURHQPRAUSAVKH-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.66
Rot. Bonds3

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

4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol (PubChem CID 64990325) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol.

Molecular Properties

Compound Name4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol
PubChem CID64990325
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol
SMILESCc1cc(C)c(C(C)(C)CC(C)O)cc1C
InChIInChI=1S/C15H24O/c1-10-7-12(3)14(8-11(10)2)15(5,6)9-13(4)16/h7-8,13,16H,9H2,1-6H3
InChIKeyWURHQPRAUSAVKH-UHFFFAOYSA-N
XLogP3.66
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 ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol?
The IUPAC name of 4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol (CID 64990325) is 4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol.
What is the SMILES notation for 4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol?
The canonical SMILES for 4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol is Cc1cc(C)c(C(C)(C)CC(C)O)cc1C.
What is the InChIKey of 4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol?
The InChIKey is WURHQPRAUSAVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-10-7-12(3)14(8-11(10)2)15(5,6)9-13(4)16/h7-8,13,16H,9H2,1-6H3.
What are the key properties of 4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol?
4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol has a molecular weight of 220.36 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol is sourced from PubChem (CID 64990325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).