3-butoxy-2,5-diethylphenol

C14H22O2 — CID 139788142

IUPAC3-butoxy-2,5-diethylphenol
SMILESCCCCOc1cc(CC)cc(O)c1CC
InChIInChI=1S/C14H22O2/c1-4-7-8-16-14-10-11(5-2)9-13(15)12(14)6-3/h9-10,15H,4-8H2,1-3H3
InChIKeyFINSKOBXWAAOBB-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.70
Rot. Bonds6

About 3-butoxy-2,5-diethylphenol

3-butoxy-2,5-diethylphenol (PubChem CID 139788142) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-butoxy-2,5-diethylphenol.

Molecular Properties

Compound Name3-butoxy-2,5-diethylphenol
PubChem CID139788142
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name3-butoxy-2,5-diethylphenol
SMILESCCCCOc1cc(CC)cc(O)c1CC
InChIInChI=1S/C14H22O2/c1-4-7-8-16-14-10-11(5-2)9-13(15)12(14)6-3/h9-10,15H,4-8H2,1-3H3
InChIKeyFINSKOBXWAAOBB-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-3-methoxy-5-pentylphenol
CID 123850544
5-ethyl-1,2,3-triheptoxybenzene
CID 66940139
2-ethyl-3-hexoxyphenol
CID 118561746
2-butoxy-4-ethylbenzoic acid
CID 174580616
3-butoxy-2,5-dimethylphenol
CID 139788128
3-methoxy-2-pentyl-5-propylphenol
CID 134929797
1,2,3-tributoxy-5-butylbenzene
CID 91807962
2,4-bis[2-butoxy-4-(2-hydroxyethyl)phenyl]cyclobuta-1,3-diene-1,3-diol
CID 172715824
1,4-dibutoxy-2,5-dimethylbenzene
CID 20612934
3,6,7,10-tetrapentoxytriphenylene-2,11-diol
CID 10031566
6-ethyl-2-propyl-3-undecoxynaphthalen-1-ol
CID 54181114
2-[(2E)-3,7-dimethylocta-2,6-dienyl]-3-(2-hydroxyethoxy)-5-pentylphenol
CID 167459407

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-2,5-diethylphenol?
The IUPAC name of 3-butoxy-2,5-diethylphenol (CID 139788142) is 3-butoxy-2,5-diethylphenol.
What is the SMILES notation for 3-butoxy-2,5-diethylphenol?
The canonical SMILES for 3-butoxy-2,5-diethylphenol is CCCCOc1cc(CC)cc(O)c1CC.
What is the InChIKey of 3-butoxy-2,5-diethylphenol?
The InChIKey is FINSKOBXWAAOBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-4-7-8-16-14-10-11(5-2)9-13(15)12(14)6-3/h9-10,15H,4-8H2,1-3H3.
What are the key properties of 3-butoxy-2,5-diethylphenol?
3-butoxy-2,5-diethylphenol has a molecular weight of 222.33 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2,5-diethylphenol is sourced from PubChem (CID 139788142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).