(2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone

C17H25NO2 — CID 62079849

IUPAC(2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)c2cc(C)ccc2O)CC1
InChIInChI=1S/C17H25NO2/c1-3-5-14-6-4-10-18(11-9-14)17(20)15-12-13(2)7-8-16(15)19/h7-8,12,14,19H,3-6,9-11H2,1-2H3
InChIKeyISWIEKWIEQHHNS-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.74
Rot. Bonds3

About (2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone

(2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone (PubChem CID 62079849) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is (2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone
PubChem CID62079849
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name(2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone
SMILESCCCC1CCCN(C(=O)c2cc(C)ccc2O)CC1
InChIInChI=1S/C17H25NO2/c1-3-5-14-6-4-10-18(11-9-14)17(20)15-12-13(2)7-8-16(15)19/h7-8,12,14,19H,3-6,9-11H2,1-2H3
InChIKeyISWIEKWIEQHHNS-UHFFFAOYSA-N
XLogP3.74
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3-ethylpiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 43430151
(2-bromo-5-methylphenyl)-(4-propylpiperidin-1-yl)methanone
CID 81110133
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 62371639
(2-hydroxy-5-methylphenyl)-(4-methylazepan-1-yl)methanone
CID 62045285
(4-chloropiperidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63390640
(2-chloro-5-sulfanylphenyl)-(4-propylazepan-1-yl)methanone
CID 107030651
[(3R,4R)-3,4-dihydroxypiperidin-1-yl]-(2-hydroxy-5-methylphenyl)methanone
CID 133119917
(3-chloropyrrolidin-1-yl)-(2-hydroxy-5-methylphenyl)methanone
CID 63398431
(2-bromo-3-pyridinyl)-(4-propylazepan-1-yl)methanone
CID 103752661
(2-bromo-5-methylphenyl)-[3-(chloromethyl)piperidin-1-yl]methanone
CID 81117928
(3-hydroxynaphthalen-2-yl)-(3-propylpyrrolidin-1-yl)methanone
CID 115667736
(5-amino-2,3-dichlorophenyl)-(4-propylazepan-1-yl)methanone
CID 107185271

Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone?
The IUPAC name of (2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone (CID 62079849) is (2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone is CCCC1CCCN(C(=O)c2cc(C)ccc2O)CC1.
What is the InChIKey of (2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone?
The InChIKey is ISWIEKWIEQHHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-3-5-14-6-4-10-18(11-9-14)17(20)15-12-13(2)7-8-16(15)19/h7-8,12,14,19H,3-6,9-11H2,1-2H3.
What are the key properties of (2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone?
(2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone has a molecular weight of 275.39 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methylphenyl)-(4-propylazepan-1-yl)methanone is sourced from PubChem (CID 62079849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).