2,3-dibutyl-4,5-diethylphenol

C18H30O — CID 139832191

IUPAC2,3-dibutyl-4,5-diethylphenol
SMILESCCCCc1c(O)cc(CC)c(CC)c1CCCC
InChIInChI=1S/C18H30O/c1-5-9-11-16-15(8-4)14(7-3)13-18(19)17(16)12-10-6-2/h13,19H,5-12H2,1-4H3
InChIKeyVBSJISWOYRTNEI-UHFFFAOYSA-N
MW262.44 g/mol
LogP5.20
Rot. Bonds8

About 2,3-dibutyl-4,5-diethylphenol

2,3-dibutyl-4,5-diethylphenol (PubChem CID 139832191) has the molecular formula C18H30O and a molecular weight of 262.44 g/mol. Its IUPAC name is 2,3-dibutyl-4,5-diethylphenol.

Molecular Properties

Compound Name2,3-dibutyl-4,5-diethylphenol
PubChem CID139832191
Molecular FormulaC18H30O
Molecular Weight262.44 g/mol
Exact Mass262.23
IUPAC Name2,3-dibutyl-4,5-diethylphenol
SMILESCCCCc1c(O)cc(CC)c(CC)c1CCCC
InChIInChI=1S/C18H30O/c1-5-9-11-16-15(8-4)14(7-3)13-18(19)17(16)12-10-6-2/h13,19H,5-12H2,1-4H3
InChIKeyVBSJISWOYRTNEI-UHFFFAOYSA-N
XLogP5.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.44
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-butyl-4,5-diethyl-3-methylphenol
CID 139832080
4-butyl-5-ethyl-3-pentylbenzene-1,2-diol
CID 87875373
2,3,4,5-tetradodecylphenol
CID 21465809
2,3,5-tributyl-4-(methoxymethyl)phenol
CID 141352327
3-butyl-4-ethyl-2-pentylphenol
CID 66866292
3-ethyl-4-methyl-2-nonylphenol
CID 66865942
2,3,5-triheptylbenzene-1,4-diol
CID 139946372
2,3,5-tri(nonyl)benzene-1,4-diol
CID 139946381
1,3,5-tributyl-2,4,6-triethylbenzene
CID 10925571
2,3-dibutyl-5-methylphenol
CID 151375054
2-ethyl-4-methyl-6-octylbenzene-1,3-diol
CID 154087783
2-ethyl-3-methyl-4,5-dipropylphenol
CID 139832159

Frequently Asked Questions

What is the IUPAC name of 2,3-dibutyl-4,5-diethylphenol?
The IUPAC name of 2,3-dibutyl-4,5-diethylphenol (CID 139832191) is 2,3-dibutyl-4,5-diethylphenol.
What is the SMILES notation for 2,3-dibutyl-4,5-diethylphenol?
The canonical SMILES for 2,3-dibutyl-4,5-diethylphenol is CCCCc1c(O)cc(CC)c(CC)c1CCCC.
What is the InChIKey of 2,3-dibutyl-4,5-diethylphenol?
The InChIKey is VBSJISWOYRTNEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O/c1-5-9-11-16-15(8-4)14(7-3)13-18(19)17(16)12-10-6-2/h13,19H,5-12H2,1-4H3.
What are the key properties of 2,3-dibutyl-4,5-diethylphenol?
2,3-dibutyl-4,5-diethylphenol has a molecular weight of 262.44 g/mol, XLogP of 5.20, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibutyl-4,5-diethylphenol is sourced from PubChem (CID 139832191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).