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

C15H21NO2 — CID 112692526

IUPAC(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
SMILESCCC1CCCCCN1C(=O)c1ccccc1O
InChIInChI=1S/C15H21NO2/c1-2-12-8-4-3-7-11-16(12)15(18)13-9-5-6-10-14(13)17/h5-6,9-10,12,17H,2-4,7-8,11H2,1H3
InChIKeyDTWLMKABMQWBQF-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.19
Rot. Bonds2

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

(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone (PubChem CID 112692526) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is (2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone.

Molecular Properties

Compound Name(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
PubChem CID112692526
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone
SMILESCCC1CCCCCN1C(=O)c1ccccc1O
InChIInChI=1S/C15H21NO2/c1-2-12-8-4-3-7-11-16(12)15(18)13-9-5-6-10-14(13)17/h5-6,9-10,12,17H,2-4,7-8,11H2,1H3
InChIKeyDTWLMKABMQWBQF-UHFFFAOYSA-N
XLogP3.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2-hydroxyphenyl)-(2-propylpiperidin-1-yl)methanone
CID 83056508
(2-ethylpiperidin-1-yl)-(3-hydroxynaphthalen-2-yl)methanone
CID 43403986
2-(2-ethylpiperidine-1-carbonyl)benzenesulfonamide
CID 43266727
[2-(ethylamino)phenyl]-(2-ethylazepan-1-yl)methanone
CID 104690846
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
(2-bromo-3-pyridinyl)-(2-ethylazepan-1-yl)methanone
CID 103755522
(2-bromo-3-methylphenyl)-(2-ethylazepan-1-yl)methanone
CID 107982609
(2-ethylpyrrolidin-1-yl)-(2-iodophenyl)methanone
CID 55137776
(2-hydroxyphenyl)-(2-methylpiperidin-1-yl)methanone
CID 43186537
1-(2-ethylazepan-1-yl)-2-(2-hydroxyphenyl)ethanone
CID 112695780
(2-hydroxyphenyl)-[2-(methylsulfanylmethyl)pyrrolidin-1-yl]methanone
CID 84594199
[4-[(2S)-2-ethylpiperidine-1-carbonyl]phenyl]-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 1087323

Frequently Asked Questions

What is the IUPAC name of (2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone?
The IUPAC name of (2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone (CID 112692526) is (2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone.
What is the SMILES notation for (2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone?
The canonical SMILES for (2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone is CCC1CCCCCN1C(=O)c1ccccc1O.
What is the InChIKey of (2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone?
The InChIKey is DTWLMKABMQWBQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-2-12-8-4-3-7-11-16(12)15(18)13-9-5-6-10-14(13)17/h5-6,9-10,12,17H,2-4,7-8,11H2,1H3.
What are the key properties of (2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone?
(2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone has a molecular weight of 247.34 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylazepan-1-yl)-(2-hydroxyphenyl)methanone is sourced from PubChem (CID 112692526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).