(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone

C19H18O3 — CID 11369883

IUPAC(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone
SMILESCCc1oc2ccccc2c1C(=O)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C19H18O3/c1-4-15-17(14-7-5-6-8-16(14)22-15)19(21)13-9-11(2)18(20)12(3)10-13/h5-10,20H,4H2,1-3H3
InChIKeyQDFXYZHYSUTYPW-UHFFFAOYSA-N
MW294.35 g/mol
LogP4.55
Rot. Bonds3

About (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone

(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone (PubChem CID 11369883) has the molecular formula C19H18O3 and a molecular weight of 294.35 g/mol. Its IUPAC name is (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone.

Molecular Properties

Compound Name(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone
PubChem CID11369883
Molecular FormulaC19H18O3
Molecular Weight294.35 g/mol
Exact Mass294.13
IUPAC Name(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone
SMILESCCc1oc2ccccc2c1C(=O)c1cc(C)c(O)c(C)c1
InChIInChI=1S/C19H18O3/c1-4-15-17(14-7-5-6-8-16(14)22-15)19(21)13-9-11(2)18(20)12(3)10-13/h5-10,20H,4H2,1-3H3
InChIKeyQDFXYZHYSUTYPW-UHFFFAOYSA-N
XLogP4.55
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone?
The IUPAC name of (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone (CID 11369883) is (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone.
What is the SMILES notation for (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone?
The canonical SMILES for (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone is CCc1oc2ccccc2c1C(=O)c1cc(C)c(O)c(C)c1.
What is the InChIKey of (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone?
The InChIKey is QDFXYZHYSUTYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18O3/c1-4-15-17(14-7-5-6-8-16(14)22-15)19(21)13-9-11(2)18(20)12(3)10-13/h5-10,20H,4H2,1-3H3.
What are the key properties of (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone?
(2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone has a molecular weight of 294.35 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-1-benzofuran-3-yl)-(4-hydroxy-3,5-dimethylphenyl)methanone is sourced from PubChem (CID 11369883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).