[4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone

C14H15NO3 — CID 60817303

IUPAC[4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(C#CCO)cc1)N1CCOCC1
InChIInChI=1S/C14H15NO3/c16-9-1-2-12-3-5-13(6-4-12)14(17)15-7-10-18-11-8-15/h3-6,16H,7-11H2
InChIKeyRDUOVEFHOHRLPW-UHFFFAOYSA-N
MW245.28 g/mol
LogP0.50
Rot. Bonds1

About [4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone

[4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone (PubChem CID 60817303) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is [4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone
PubChem CID60817303
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Name[4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc(C#CCO)cc1)N1CCOCC1
InChIInChI=1S/C14H15NO3/c16-9-1-2-12-3-5-13(6-4-12)14(17)15-7-10-18-11-8-15/h3-6,16H,7-11H2
InChIKeyRDUOVEFHOHRLPW-UHFFFAOYSA-N
XLogP0.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(3-hydroxyprop-1-ynyl)-2-methylphenyl]-morpholin-4-ylmethanone
CID 18404856
(3,4-dihydroxypyrrolidin-1-yl)-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 106673086
[4-(hydroxymethyl)phenyl]-morpholin-4-ylmethanone
CID 60635795
[4-(3-hydroxyprop-1-ynyl)phenyl]-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63978268
4-(3-hydroxyprop-1-ynyl)benzoic acid
CID 5201737
[2-(hydroxymethyl)azepan-1-yl]-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 116636799
lithium 4-(morpholine-4-carbonyl)benzoate
CID 142428468
ethane;(4-methylphenyl)-morpholin-4-ylmethanone;propane
CID 176553137
[5-fluoro-2-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone
CID 54922121
[3-(4-hydroxybut-1-ynyl)phenyl]-(1,4-oxazepan-4-yl)methanone
CID 62968355
2,3-dihydroindol-1-yl-[4-(3-hydroxyprop-1-ynyl)phenyl]methanone
CID 60815593
[4-(4-hydroxybut-1-ynyl)phenyl]-(4-methylpiperidin-1-yl)methanone
CID 60817460

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone (CID 60817303) is [4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone is O=C(c1ccc(C#CCO)cc1)N1CCOCC1.
What is the InChIKey of [4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone?
The InChIKey is RDUOVEFHOHRLPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c16-9-1-2-12-3-5-13(6-4-12)14(17)15-7-10-18-11-8-15/h3-6,16H,7-11H2.
What are the key properties of [4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone?
[4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone has a molecular weight of 245.28 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxyprop-1-ynyl)phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 60817303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).