[2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone

C17H23NO3 — CID 141436193

IUPAC[2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccccc1C1(O)CCCCC1)N1CCOCC1
InChIInChI=1S/C17H23NO3/c19-16(18-10-12-21-13-11-18)14-6-2-3-7-15(14)17(20)8-4-1-5-9-17/h2-3,6-7,20H,1,4-5,8-13H2
InChIKeyVAXAYAAQJWNNJJ-UHFFFAOYSA-N
MW289.38 g/mol
LogP2.31
Rot. Bonds2

About [2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone

[2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone (PubChem CID 141436193) has the molecular formula C17H23NO3 and a molecular weight of 289.38 g/mol. Its IUPAC name is [2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone
PubChem CID141436193
Molecular FormulaC17H23NO3
Molecular Weight289.38 g/mol
Exact Mass289.17
IUPAC Name[2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccccc1C1(O)CCCCC1)N1CCOCC1
InChIInChI=1S/C17H23NO3/c19-16(18-10-12-21-13-11-18)14-6-2-3-7-15(14)17(20)8-4-1-5-9-17/h2-3,6-7,20H,1,4-5,8-13H2
InChIKeyVAXAYAAQJWNNJJ-UHFFFAOYSA-N
XLogP2.31
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-diaminophenyl)-morpholin-4-ylmethanone
CID 54188281
2-(morpholine-4-carbonyl)benzonitrile
CID 11378923
8-azaspiro[4.5]decan-8-yl-(2-hydroxyphenyl)methanone
CID 63161441
1,4-oxazepan-4-yl-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanone
CID 144636870
(2,3-dichlorophenyl)-morpholin-4-ylmethanone
CID 1247473
morpholin-4-yl-(1-morpholin-4-ylisoquinolin-4-yl)methanone
CID 46360302
2-(morpholine-4-carbonyl)-N,N-diphenylbenzamide
CID 1217065
[2-(1-hydroxycyclohexyl)phenyl]-piperidin-4-ylmethanone
CID 141436195
2-[2-(morpholine-4-carbonyl)phenyl]isoindole-1,3-dione
CID 4933006
morpholin-4-yl(phenazin-1-yl)methanone
CID 3743226
ethyl 2-(1,4,7-trioxa-10-azacyclododecane-10-carbonyl)benzoate
CID 15945097
methyl N-[2-(morpholine-4-carbonyl)phenyl]carbamate
CID 740590

Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone (CID 141436193) is [2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone is O=C(c1ccccc1C1(O)CCCCC1)N1CCOCC1.
What is the InChIKey of [2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is VAXAYAAQJWNNJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO3/c19-16(18-10-12-21-13-11-18)14-6-2-3-7-15(14)17(20)8-4-1-5-9-17/h2-3,6-7,20H,1,4-5,8-13H2.
What are the key properties of [2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone?
[2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 289.38 g/mol, XLogP of 2.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxycyclohexyl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 141436193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).