1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone

C16H23NO2 — CID 112695780

IUPAC1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
SMILESCCC1CCCCCN1C(=O)Cc1ccccc1O
InChIInChI=1S/C16H23NO2/c1-2-14-9-4-3-7-11-17(14)16(19)12-13-8-5-6-10-15(13)18/h5-6,8,10,14,18H,2-4,7,9,11-12H2,1H3
InChIKeyDGKGJNPYNDJMFR-UHFFFAOYSA-N
MW261.36 g/mol
LogP3.12
Rot. Bonds3

About 1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone

1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone (PubChem CID 112695780) has the molecular formula C16H23NO2 and a molecular weight of 261.36 g/mol. Its IUPAC name is 1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone.

Molecular Properties

Compound Name1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
PubChem CID112695780
Molecular FormulaC16H23NO2
Molecular Weight261.36 g/mol
Exact Mass261.17
IUPAC Name1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
SMILESCCC1CCCCCN1C(=O)Cc1ccccc1O
InChIInChI=1S/C16H23NO2/c1-2-14-9-4-3-7-11-17(14)16(19)12-13-8-5-6-10-15(13)18/h5-6,8,10,14,18H,2-4,7,9,11-12H2,1H3
InChIKeyDGKGJNPYNDJMFR-UHFFFAOYSA-N
XLogP3.12
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanone
CID 110671107
1-[(2R)-2-ethylpiperidin-1-yl]-2-(2-nitrophenyl)ethanone
CID 7346087
1-(2-ethylpyrrolidin-1-yl)-2-(2-fluorophenyl)ethanone
CID 110671110
1-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-(2-hydroxyphenyl)ethanone
CID 80740437
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
CID 112692526
2-(2-hydroxyphenyl)-1-[(2R)-2-(2-propan-2-yloxyethyl)piperidin-1-yl]ethanone
CID 97018683
1-(2-ethylpiperidin-1-yl)-2-(3-hydroxyphenyl)ethanone
CID 61399838
2-(2-hydroxyphenyl)-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]ethanone
CID 80740881
1-(2-cyclopentylpyrrolidin-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 78916994
2-[2-(aminomethyl)phenyl]-1-[2-(hydroxymethyl)azepan-1-yl]ethanone
CID 116634492
2-(3-aminophenyl)-1-(2-ethylpiperidin-1-yl)ethanone
CID 62498346
N-[(2-chlorophenyl)methyl]-3-(2-ethylpiperidin-1-yl)-3-oxopropanamide
CID 108946579

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone?
The IUPAC name of 1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone (CID 112695780) is 1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone.
What is the SMILES notation for 1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone?
The canonical SMILES for 1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone is CCC1CCCCCN1C(=O)Cc1ccccc1O.
What is the InChIKey of 1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone?
The InChIKey is DGKGJNPYNDJMFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-2-14-9-4-3-7-11-17(14)16(19)12-13-8-5-6-10-15(13)18/h5-6,8,10,14,18H,2-4,7,9,11-12H2,1H3.
What are the key properties of 1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone?
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone has a molecular weight of 261.36 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone is sourced from PubChem (CID 112695780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).