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

C17H22O3 — CID 116748355

IUPAC2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone
SMILESCCOC1(C(=O)c2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C17H22O3/c1-2-20-17(9-4-3-5-10-17)16(18)14-6-7-15-13(12-14)8-11-19-15/h6-7,12H,2-5,8-11H2,1H3
InChIKeyLFPPFVZXTQWUIL-UHFFFAOYSA-N
MW274.36 g/mol
LogP3.54
Rot. Bonds4

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

2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone (PubChem CID 116748355) has the molecular formula C17H22O3 and a molecular weight of 274.36 g/mol. Its IUPAC name is 2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone.

Molecular Properties

Compound Name2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone
PubChem CID116748355
Molecular FormulaC17H22O3
Molecular Weight274.36 g/mol
Exact Mass274.16
IUPAC Name2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone
SMILESCCOC1(C(=O)c2ccc3c(c2)CCO3)CCCCC1
InChIInChI=1S/C17H22O3/c1-2-20-17(9-4-3-5-10-17)16(18)14-6-7-15-13(12-14)8-11-19-15/h6-7,12H,2-5,8-11H2,1H3
InChIKeyLFPPFVZXTQWUIL-UHFFFAOYSA-N
XLogP3.54
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,3-dihydro-1-benzofuran-5-yl-[1-(dimethylamino)cycloheptyl]methanone
CID 104542328
(1-ethoxycyclohexyl)-(4-fluorophenyl)methanone
CID 116748423
2,3-dihydro-1-benzofuran-5-yl-(1-methoxy-4-methylcyclohexyl)methanone
CID 116749158
methyl 1-(2,3-dihydro-1-benzofuran-5-carbonyl)cyclopropane-1-carboxylate
CID 116922177
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethylpent-2-en-1-one
CID 103458963
N-[1-(hydroxymethyl)cyclobutyl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113344817
1-(2,3-dihydro-1-benzofuran-5-yl)-3-ethyl-2-hydroxypentan-1-one
CID 103458617
2,3-dihydro-1-benzofuran-5-carboxylic acid
CID 676583
3,4-dihydro-2H-pyran-6-yl-(1-ethoxycycloheptyl)methanone
CID 102647062
methyl 3-(2,3-dihydro-1-benzofuran-5-yl)-3-oxopropanoate
CID 70925454
1-(2,3-dihydro-1-benzofuran-5-yl)-2-(propylamino)ethanone
CID 116562848
(1-ethoxycyclohexyl)-(3-propylphenyl)methanone
CID 116748314

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone?
The IUPAC name of 2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone (CID 116748355) is 2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone.
What is the SMILES notation for 2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone?
The canonical SMILES for 2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone is CCOC1(C(=O)c2ccc3c(c2)CCO3)CCCCC1.
What is the InChIKey of 2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone?
The InChIKey is LFPPFVZXTQWUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22O3/c1-2-20-17(9-4-3-5-10-17)16(18)14-6-7-15-13(12-14)8-11-19-15/h6-7,12H,2-5,8-11H2,1H3.
What are the key properties of 2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone?
2,3-dihydro-1-benzofuran-5-yl-(1-ethoxycyclohexyl)methanone has a molecular weight of 274.36 g/mol, XLogP of 3.54, 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-(1-ethoxycyclohexyl)methanone is sourced from PubChem (CID 116748355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).