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

C15H24O — CID 64984866

IUPAC3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol
SMILESCCC(C)C(C)(O)c1cc(C)c(C)cc1C
InChIInChI=1S/C15H24O/c1-7-13(5)15(6,16)14-9-11(3)10(2)8-12(14)4/h8-9,13,16H,7H2,1-6H3
InChIKeyKRSZJDJPVSPNAJ-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.87
Rot. Bonds3

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

3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol (PubChem CID 64984866) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol.

Molecular Properties

Compound Name3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol
PubChem CID64984866
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol
SMILESCCC(C)C(C)(O)c1cc(C)c(C)cc1C
InChIInChI=1S/C15H24O/c1-7-13(5)15(6,16)14-9-11(3)10(2)8-12(14)4/h8-9,13,16H,7H2,1-6H3
InChIKeyKRSZJDJPVSPNAJ-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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Related Compounds

(2S)-3-methyl-2-(2,4,5-trimethylphenyl)butan-2-ol
CID 96823487
2-methyl-3-(2,4,5-trimethylphenyl)pentan-3-ol
CID 64984867
2,6-dimethyl-4-(2,4,5-trimethylphenyl)heptan-4-ol
CID 114865584
2-(4-bromo-2-chlorophenyl)-3-methylpentan-2-ol
CID 82779190
3-methyl-2-(2,3,4-trifluorophenyl)pentan-2-ol
CID 62964258
2-(3-fluoro-5-methylphenyl)-3-methylpentan-2-ol
CID 79692026
4-methyl-4-(2,4,5-trimethylphenyl)pentan-2-ol
CID 64990325
1-(1,1-difluoroethyl)-2,4,5-trimethylbenzene
CID 116841558
1-(ethylamino)-2-(2,4,5-trimethylphenyl)propan-2-ol
CID 66039376
3-methyl-2-phenylpentan-2-ol
CID 13024634
1,2,4-trimethyl-5-[2-(2,4,5-trimethylphenyl)propan-2-yl]benzene
CID 21350453
2-(4-bromophenyl)-3-methylpentan-2-ol
CID 79445926

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol?
The IUPAC name of 3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol (CID 64984866) is 3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol.
What is the SMILES notation for 3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol?
The canonical SMILES for 3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol is CCC(C)C(C)(O)c1cc(C)c(C)cc1C.
What is the InChIKey of 3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol?
The InChIKey is KRSZJDJPVSPNAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-7-13(5)15(6,16)14-9-11(3)10(2)8-12(14)4/h8-9,13,16H,7H2,1-6H3.
What are the key properties of 3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol?
3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-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 3-methyl-2-(2,4,5-trimethylphenyl)pentan-2-ol is sourced from PubChem (CID 64984866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).