2-butyl-4,5-diethyl-3-methylphenol

C15H24O — CID 139832080

IUPAC2-butyl-4,5-diethyl-3-methylphenol
SMILESCCCCc1c(O)cc(CC)c(CC)c1C
InChIInChI=1S/C15H24O/c1-5-8-9-14-11(4)13(7-3)12(6-2)10-15(14)16/h10,16H,5-9H2,1-4H3
InChIKeyHKCPZLWHSVYVRK-UHFFFAOYSA-N
MW220.36 g/mol
LogP4.17
Rot. Bonds5

About 2-butyl-4,5-diethyl-3-methylphenol

2-butyl-4,5-diethyl-3-methylphenol (PubChem CID 139832080) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 2-butyl-4,5-diethyl-3-methylphenol.

Molecular Properties

Compound Name2-butyl-4,5-diethyl-3-methylphenol
PubChem CID139832080
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name2-butyl-4,5-diethyl-3-methylphenol
SMILESCCCCc1c(O)cc(CC)c(CC)c1C
InChIInChI=1S/C15H24O/c1-5-8-9-14-11(4)13(7-3)12(6-2)10-15(14)16/h10,16H,5-9H2,1-4H3
InChIKeyHKCPZLWHSVYVRK-UHFFFAOYSA-N
XLogP4.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-dibutyl-4,5-diethylphenol
CID 139832191
4-butyl-5-ethyl-3-pentylbenzene-1,2-diol
CID 87875373
2-ethyl-3-methyl-4,5-dipropylphenol
CID 139832159
5-butyl-2,3,4-trimethylphenol
CID 150949737
2,3-dibutyl-5-methylphenol
CID 151375054
5-ethyl-2-methyl-3-propylbenzene-1,4-diol
CID 139946402
2-decyl-3,4,5-trimethylphenol
CID 151136943
2,3,4,5-tetradodecylphenol
CID 21465809
1,3,5-tributyl-2,4,6-trimethylbenzene
CID 123628431
2,3,5-tributyl-4-(methoxymethyl)phenol
CID 141352327
2,3,5-tri(nonyl)benzene-1,4-diol
CID 139946381
3-butyl-4-ethyl-2-pentylphenol
CID 66866292

Frequently Asked Questions

What is the IUPAC name of 2-butyl-4,5-diethyl-3-methylphenol?
The IUPAC name of 2-butyl-4,5-diethyl-3-methylphenol (CID 139832080) is 2-butyl-4,5-diethyl-3-methylphenol.
What is the SMILES notation for 2-butyl-4,5-diethyl-3-methylphenol?
The canonical SMILES for 2-butyl-4,5-diethyl-3-methylphenol is CCCCc1c(O)cc(CC)c(CC)c1C.
What is the InChIKey of 2-butyl-4,5-diethyl-3-methylphenol?
The InChIKey is HKCPZLWHSVYVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O/c1-5-8-9-14-11(4)13(7-3)12(6-2)10-15(14)16/h10,16H,5-9H2,1-4H3.
What are the key properties of 2-butyl-4,5-diethyl-3-methylphenol?
2-butyl-4,5-diethyl-3-methylphenol has a molecular weight of 220.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4,5-diethyl-3-methylphenol is sourced from PubChem (CID 139832080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).