4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol

C17H22O3 — CID 11000257

IUPAC4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol
SMILESCCCCc1ccc(CCc2ccc(O)c(OC)c2)o1
InChIInChI=1S/C17H22O3/c1-3-4-5-14-9-10-15(20-14)8-6-13-7-11-16(18)17(12-13)19-2/h7,9-12,18H,3-6,8H2,1-2H3
InChIKeyVFYKGOGEJRZWKU-UHFFFAOYSA-N
MW274.36 g/mol
LogP4.12
Rot. Bonds7

About 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol

4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol (PubChem CID 11000257) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol
PubChem CID11000257
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol
SMILESCCCCc1ccc(CCc2ccc(O)c(OC)c2)o1
InChIInChI=1S/C17H22O3/c1-3-4-5-14-9-10-15(20-14)8-6-13-7-11-16(18)17(12-13)19-2/h7,9-12,18H,3-6,8H2,1-2H3
InChIKeyVFYKGOGEJRZWKU-UHFFFAOYSA-N
XLogP4.12
TPSA42.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol?
The IUPAC name of 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol (CID 11000257) is 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol.
What is the SMILES notation for 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol?
The canonical SMILES for 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol is CCCCc1ccc(CCc2ccc(O)c(OC)c2)o1.
What is the InChIKey of 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol?
The InChIKey is VFYKGOGEJRZWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-3-4-5-14-9-10-15(20-14)8-6-13-7-11-16(18)17(12-13)19-2/h7,9-12,18H,3-6,8H2,1-2H3.
What are the key properties of 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol?
4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol has a molecular weight of 274.36 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(5-butylfuran-2-yl)ethyl]-2-methoxyphenol is sourced from PubChem (CID 11000257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).