4-(butoxymethyl)-2-methoxyphenol

C12H18O3 — CID 5084146

IUPAC4-(butoxymethyl)-2-methoxyphenol
SMILESCCCCOCc1ccc(O)c(OC)c1
InChIInChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKeyVLDFMKOUUQYFGF-UHFFFAOYSA-N
MW210.27 g/mol
LogP2.72
Rot. Bonds6

About 4-(butoxymethyl)-2-methoxyphenol

4-(butoxymethyl)-2-methoxyphenol (PubChem CID 5084146) has the molecular formula C12H18O3 and a molecular weight of 210.27 g/mol. Its IUPAC name is 4-(butoxymethyl)-2-methoxyphenol.

Molecular Properties

Compound Name4-(butoxymethyl)-2-methoxyphenol
PubChem CID5084146
Molecular FormulaC12H18O3
Molecular Weight210.27 g/mol
Exact Mass210.13
IUPAC Name4-(butoxymethyl)-2-methoxyphenol
SMILESCCCCOCc1ccc(O)c(OC)c1
InChIInChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3
InChIKeyVLDFMKOUUQYFGF-UHFFFAOYSA-N
XLogP2.72
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.27
LogP ≤ 52.72
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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Frequently Asked Questions

What is the IUPAC name of 4-(butoxymethyl)-2-methoxyphenol?
The IUPAC name of 4-(butoxymethyl)-2-methoxyphenol (CID 5084146) is 4-(butoxymethyl)-2-methoxyphenol.
What is the SMILES notation for 4-(butoxymethyl)-2-methoxyphenol?
The canonical SMILES for 4-(butoxymethyl)-2-methoxyphenol is CCCCOCc1ccc(O)c(OC)c1.
What is the InChIKey of 4-(butoxymethyl)-2-methoxyphenol?
The InChIKey is VLDFMKOUUQYFGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18O3/c1-3-4-7-15-9-10-5-6-11(13)12(8-10)14-2/h5-6,8,13H,3-4,7,9H2,1-2H3.
What are the key properties of 4-(butoxymethyl)-2-methoxyphenol?
4-(butoxymethyl)-2-methoxyphenol has a molecular weight of 210.27 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(butoxymethyl)-2-methoxyphenol is sourced from PubChem (CID 5084146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).