5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one

C17H23NO3 — CID 156500885

IUPAC5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one
SMILESCCN1CCCCCC1COc1ccc2c(c1)COC2=O
InChIInChI=1S/C17H23NO3/c1-2-18-9-5-3-4-6-14(18)12-20-15-7-8-16-13(10-15)11-21-17(16)19/h7-8,10,14H,2-6,9,11-12H2,1H3
InChIKeyDYKZUAVCSRAZMO-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.00
Rot. Bonds4

About 5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one

5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one (PubChem CID 156500885) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is 5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one.

Molecular Properties

Compound Name5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one
PubChem CID156500885
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one
SMILESCCN1CCCCCC1COc1ccc2c(c1)COC2=O
InChIInChI=1S/C17H23NO3/c1-2-18-9-5-3-4-6-14(18)12-20-15-7-8-16-13(10-15)11-21-17(16)19/h7-8,10,14H,2-6,9,11-12H2,1H3
InChIKeyDYKZUAVCSRAZMO-UHFFFAOYSA-N
XLogP3.00
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one?
The IUPAC name of 5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one (CID 156500885) is 5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one.
What is the SMILES notation for 5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one?
The canonical SMILES for 5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one is CCN1CCCCCC1COc1ccc2c(c1)COC2=O.
What is the InChIKey of 5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one?
The InChIKey is DYKZUAVCSRAZMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c1-2-18-9-5-3-4-6-14(18)12-20-15-7-8-16-13(10-15)11-21-17(16)19/h7-8,10,14H,2-6,9,11-12H2,1H3.
What are the key properties of 5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one?
5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one has a molecular weight of 289.38 g/mol, XLogP of 3.00, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-ethylazepan-2-yl)methoxy]-3H-2-benzofuran-1-one is sourced from PubChem (CID 156500885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).