4-butoxy-2-methoxyphenol

C11H16O3 — CID 53249740

IUPAC4-butoxy-2-methoxyphenol
SMILESCCCCOc1ccc(O)c(OC)c1
InChIInChI=1S/C11H16O3/c1-3-4-7-14-9-5-6-10(12)11(8-9)13-2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyLUCJGAGJVQJIOE-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.58
Rot. Bonds5

About 4-butoxy-2-methoxyphenol

4-butoxy-2-methoxyphenol (PubChem CID 53249740) has the molecular formula C11H16O3 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-butoxy-2-methoxyphenol.

Molecular Properties

Compound Name4-butoxy-2-methoxyphenol
PubChem CID53249740
Molecular FormulaC11H16O3
Molecular Weight196.25 g/mol
Exact Mass196.11
IUPAC Name4-butoxy-2-methoxyphenol
SMILESCCCCOc1ccc(O)c(OC)c1
InChIInChI=1S/C11H16O3/c1-3-4-7-14-9-5-6-10(12)11(8-9)13-2/h5-6,8,12H,3-4,7H2,1-2H3
InChIKeyLUCJGAGJVQJIOE-UHFFFAOYSA-N
XLogP2.58
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-2-methoxyphenol
CID 54107015
1-bromo-4-butoxy-2-methoxybenzene
CID 90315981
2-(4-hydroxy-3-methoxyphenoxy)ethyl dihydrogen phosphate
CID 67374454
4-hexoxybenzene-1,2-diol
CID 23459322
4-(butoxymethyl)-2-methoxyphenol;hydrochloride
CID 175330129
4-[3-[dimethyl(prop-2-enoxy)silyl]propoxy]-2-methoxyphenol
CID 20667337
4-(butoxymethyl)-2-methoxyphenol;ethanol
CID 66730782
4-(2-butoxyethoxymethyl)-2-methoxyphenol
CID 139805513
5-butoxy-2-methylphenol
CID 59445644
4-butoxy-2-octadecylphenol
CID 21499280
4-hydroxy-3-methoxybenzamide;nonane
CID 174831625
4-(hydroxymethyl)-2-methoxyphenol;1-pentoxypentane
CID 71151145

Frequently Asked Questions

What is the IUPAC name of 4-butoxy-2-methoxyphenol?
The IUPAC name of 4-butoxy-2-methoxyphenol (CID 53249740) is 4-butoxy-2-methoxyphenol.
What is the SMILES notation for 4-butoxy-2-methoxyphenol?
The canonical SMILES for 4-butoxy-2-methoxyphenol is CCCCOc1ccc(O)c(OC)c1.
What is the InChIKey of 4-butoxy-2-methoxyphenol?
The InChIKey is LUCJGAGJVQJIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O3/c1-3-4-7-14-9-5-6-10(12)11(8-9)13-2/h5-6,8,12H,3-4,7H2,1-2H3.
What are the key properties of 4-butoxy-2-methoxyphenol?
4-butoxy-2-methoxyphenol has a molecular weight of 196.25 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butoxy-2-methoxyphenol is sourced from PubChem (CID 53249740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).