4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol

C26H40O4 — CID 175396015

IUPAC4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol
SMILESCCCCOc1cc(C)c(O)c(C)c1.CCCCOc1cc(CC)c(O)c(CC)c1
InChIInChI=1S/C14H22O2.C12H18O2/c1-4-7-8-16-13-9-11(5-2)14(15)12(6-3)10-13;1-4-5-6-14-11-7-9(2)12(13)10(3)8-11/h9-10,15H,4-8H2,1-3H3;7-8,13H,4-6H2,1-3H3
InChIKeyGUYQWXNMLLCPLD-UHFFFAOYSA-N
MW416.60 g/mol
LogP6.88
Rot. Bonds10

About 4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol

4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol (PubChem CID 175396015) has the molecular formula C26H40O4 and a molecular weight of 416.60 g/mol. Its IUPAC name is 4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol.

Molecular Properties

Compound Name4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol
PubChem CID175396015
Molecular FormulaC26H40O4
Molecular Weight416.60 g/mol
Exact Mass416.29
IUPAC Name4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol
SMILESCCCCOc1cc(C)c(O)c(C)c1.CCCCOc1cc(CC)c(O)c(CC)c1
InChIInChI=1S/C14H22O2.C12H18O2/c1-4-7-8-16-13-9-11(5-2)14(15)12(6-3)10-13;1-4-5-6-14-11-7-9(2)12(13)10(3)8-11/h9-10,15H,4-8H2,1-3H3;7-8,13H,4-6H2,1-3H3
InChIKeyGUYQWXNMLLCPLD-UHFFFAOYSA-N
XLogP6.88
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.60
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-ethyl-4-hexoxy-1-methylbenzene
CID 143189460
4-butoxy-2,6-dimethylbenzenethiol
CID 91655340
4-[[dibutyl-[(3,5-diethyl-4-hydroxyphenoxy)methyl]silyl]methoxy]-2,6-diethylphenol
CID 19088137
1,3,5-tributoxybenzene
CID 15933337
methyl 2-methyl-4-pentoxy-6-propylbenzoate
CID 143015435
ethyl 4-butoxy-2-hydroxy-6-methylbenzoate
CID 10999530
4-hexadecoxy-2,6-dimethylbenzenesulfonic acid
CID 4082127
5-butoxy-2-methylphenol
CID 59445644
(4-butoxy-3,5-dimethylphenyl) acetate
CID 91036893
2,6-diethyl-4-pentylphenol
CID 66879488
1,3-dimethyl-2-methylsulfonyl-5-tricosoxybenzene
CID 70896677
4-butoxy-2-octadecylphenol
CID 21499280

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol?
The IUPAC name of 4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol (CID 175396015) is 4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol.
What is the SMILES notation for 4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol?
The canonical SMILES for 4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol is CCCCOc1cc(C)c(O)c(C)c1.CCCCOc1cc(CC)c(O)c(CC)c1.
What is the InChIKey of 4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol?
The InChIKey is GUYQWXNMLLCPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2.C12H18O2/c1-4-7-8-16-13-9-11(5-2)14(15)12(6-3)10-13;1-4-5-6-14-11-7-9(2)12(13)10(3)8-11/h9-10,15H,4-8H2,1-3H3;7-8,13H,4-6H2,1-3H3.
What are the key properties of 4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol?
4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol has a molecular weight of 416.60 g/mol, XLogP of 6.88, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2,6-diethylphenol;4-butoxy-2,6-dimethylphenol is sourced from PubChem (CID 175396015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).