1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone

C18H22O3 — CID 72700952

IUPAC1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone
SMILESCC(=O)c1c(C)oc(Cc2ccccc2O)c1CC(C)C
InChIInChI=1S/C18H22O3/c1-11(2)9-15-17(21-13(4)18(15)12(3)19)10-14-7-5-6-8-16(14)20/h5-8,11,20H,9-10H2,1-4H3
InChIKeyWXQWYWZJAAJREE-UHFFFAOYSA-N
MW286.37 g/mol
LogP4.29
Rot. Bonds5

About 1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone

1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone (PubChem CID 72700952) has the molecular formula C18H22O3 and a molecular weight of 286.37 g/mol. Its IUPAC name is 1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone
PubChem CID72700952
Molecular FormulaC18H22O3
Molecular Weight286.37 g/mol
Exact Mass286.16
IUPAC Name1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone
SMILESCC(=O)c1c(C)oc(Cc2ccccc2O)c1CC(C)C
InChIInChI=1S/C18H22O3/c1-11(2)9-15-17(21-13(4)18(15)12(3)19)10-14-7-5-6-8-16(14)20/h5-8,11,20H,9-10H2,1-4H3
InChIKeyWXQWYWZJAAJREE-UHFFFAOYSA-N
XLogP4.29
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone?
The IUPAC name of 1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone (CID 72700952) is 1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone.
What is the SMILES notation for 1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone?
The canonical SMILES for 1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone is CC(=O)c1c(C)oc(Cc2ccccc2O)c1CC(C)C.
What is the InChIKey of 1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone?
The InChIKey is WXQWYWZJAAJREE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O3/c1-11(2)9-15-17(21-13(4)18(15)12(3)19)10-14-7-5-6-8-16(14)20/h5-8,11,20H,9-10H2,1-4H3.
What are the key properties of 1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone?
1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone has a molecular weight of 286.37 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(2-hydroxyphenyl)methyl]-2-methyl-4-(2-methylpropyl)furan-3-yl]ethanone is sourced from PubChem (CID 72700952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).