2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone

C18H18O3 — CID 62301805

IUPAC2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H18O3/c1-3-20-17-6-4-12(2)10-15(17)18(19)14-5-7-16-13(11-14)8-9-21-16/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyACZHDKHOBATFQD-UHFFFAOYSA-N
MW282.34 g/mol
LogP3.56
Rot. Bonds4

About 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone

2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone (PubChem CID 62301805) has the molecular formula C18H18O3 and a molecular weight of 282.34 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone
PubChem CID62301805
Molecular FormulaC18H18O3
Molecular Weight282.34 g/mol
Exact Mass282.13
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone
SMILESCCOc1ccc(C)cc1C(=O)c1ccc2c(c1)CCO2
InChIInChI=1S/C18H18O3/c1-3-20-17-6-4-12(2)10-15(17)18(19)14-5-7-16-13(11-14)8-9-21-16/h4-7,10-11H,3,8-9H2,1-2H3
InChIKeyACZHDKHOBATFQD-UHFFFAOYSA-N
XLogP3.56
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-6-methylpyridazin-4-yl)methanone
CID 105128071
(4-chloro-3-fluorophenyl)-(2-ethoxy-5-methylphenyl)methanone
CID 107998309
(2-amino-3-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 107469285
2,3-dihydro-1-benzofuran-5-yl-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 102811856
N-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-4-ethoxy-3-methylbenzamide
CID 86950625
ethane;5-methyl-2,3-dihydro-1-benzofuran;propane
CID 145162253
5-methyl-2,3-dihydro-1-benzofuran
CID 12725190
2,3-dihydro-1-benzofuran-5-yl-[4-(methylamino)phenyl]methanone
CID 116917463
1-(5-ethoxy-2,3-dihydro-1-benzofuran-6-yl)ethanone
CID 83882748
2,3-dihydro-1-benzofuran-5-yl-(5-methylfuran-3-yl)methanone
CID 114819434
(3-bromo-4-ethoxyphenyl)-(2,5-dimethylphenyl)methanone
CID 104656758
(2-bromo-4-methoxyphenyl)-(2,3-dihydro-1-benzofuran-5-yl)methanone
CID 62200694

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone (CID 62301805) is 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone is CCOc1ccc(C)cc1C(=O)c1ccc2c(c1)CCO2.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone?
The InChIKey is ACZHDKHOBATFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18O3/c1-3-20-17-6-4-12(2)10-15(17)18(19)14-5-7-16-13(11-14)8-9-21-16/h4-7,10-11H,3,8-9H2,1-2H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone?
2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone has a molecular weight of 282.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzofuran-5-yl-(2-ethoxy-5-methylphenyl)methanone is sourced from PubChem (CID 62301805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).