4-butoxy-2,5-ditert-butyl-3-methylphenol

C19H32O2 — CID 59123457

IUPAC4-butoxy-2,5-ditert-butyl-3-methylphenol
SMILESCCCCOc1c(C(C)(C)C)cc(O)c(C(C)(C)C)c1C
InChIInChI=1S/C19H32O2/c1-9-10-11-21-17-13(2)16(19(6,7)8)15(20)12-14(17)18(3,4)5/h12,20H,9-11H2,1-8H3
InChIKeyKCKNQYSLGBQPPV-UHFFFAOYSA-N
MW292.46 g/mol
LogP5.47
Rot. Bonds4

About 4-butoxy-2,5-ditert-butyl-3-methylphenol

4-butoxy-2,5-ditert-butyl-3-methylphenol (PubChem CID 59123457) has the molecular formula C19H32O2 and a molecular weight of 292.46 g/mol. Its IUPAC name is 4-butoxy-2,5-ditert-butyl-3-methylphenol.

Molecular Properties

Compound Name4-butoxy-2,5-ditert-butyl-3-methylphenol
PubChem CID59123457
Molecular FormulaC19H32O2
Molecular Weight292.46 g/mol
Exact Mass292.24
IUPAC Name4-butoxy-2,5-ditert-butyl-3-methylphenol
SMILESCCCCOc1c(C(C)(C)C)cc(O)c(C(C)(C)C)c1C
InChIInChI=1S/C19H32O2/c1-9-10-11-21-17-13(2)16(19(6,7)8)15(20)12-14(17)18(3,4)5/h12,20H,9-11H2,1-8H3
InChIKeyKCKNQYSLGBQPPV-UHFFFAOYSA-N
XLogP5.47
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.46
LogP ≤ 55.47
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-butoxy-3,5-ditert-butylphenyl)boronic acid
CID 22345412
(4-butoxy-3,5-ditert-butylphenyl)methylphosphonic acid
CID 56619039
2-amino-1,1-bis(4-butoxy-3,5-ditert-butylphenyl)propan-1-ol
CID 67327177
2-tert-butyl-4-tetradecoxyphenol
CID 19014137
2-butoxybenzene-1,3-diol
CID 101011168
2-amino-5-tert-butyl-4-hexadecoxyphenol
CID 13076762
[2,6-ditert-butyl-4-hydroxy-3-(1-hydroxy-2-pentylheptyl)phenyl] acetate
CID 11080836
1,3-ditert-butyl-5-ethynyl-2-hexoxybenzene
CID 102036487
2,6-ditert-butyl-4-decoxyphenol
CID 18417198
2,5-dibutoxy-3,6-dimethylphenol
CID 90435242
(3,5-ditert-butyl-4-octadecoxyphenyl)methylphosphonic acid
CID 56619067
3-butoxy-2,5-dimethylphenol
CID 139788128

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2,5-ditert-butyl-3-methylphenol?
The IUPAC name of 4-butoxy-2,5-ditert-butyl-3-methylphenol (CID 59123457) is 4-butoxy-2,5-ditert-butyl-3-methylphenol.
What is the SMILES notation for 4-butoxy-2,5-ditert-butyl-3-methylphenol?
The canonical SMILES for 4-butoxy-2,5-ditert-butyl-3-methylphenol is CCCCOc1c(C(C)(C)C)cc(O)c(C(C)(C)C)c1C.
What is the InChIKey of 4-butoxy-2,5-ditert-butyl-3-methylphenol?
The InChIKey is KCKNQYSLGBQPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O2/c1-9-10-11-21-17-13(2)16(19(6,7)8)15(20)12-14(17)18(3,4)5/h12,20H,9-11H2,1-8H3.
What are the key properties of 4-butoxy-2,5-ditert-butyl-3-methylphenol?
4-butoxy-2,5-ditert-butyl-3-methylphenol has a molecular weight of 292.46 g/mol, XLogP of 5.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2,5-ditert-butyl-3-methylphenol is sourced from PubChem (CID 59123457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).