hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride

C17H20ClNO2 — CID 659831

IUPAChydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride
SMILESC(#CCN1CCOCC1)COCC#Cc1ccccc1.[Cl-].[H+]
InChIInChI=1S/C17H19NO2.ClH/c1-2-7-17(8-3-1)9-6-14-19-13-5-4-10-18-11-15-20-16-12-18;/h1-3,7-8H,10-16H2;1H
InChIKeyPBCFHQFJBKVOQB-UHFFFAOYSA-N
MW305.81 g/mol
LogP-1.49
Rot. Bonds3

About hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride

hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride (PubChem CID 659831) has the molecular formula C17H20ClNO2 and a molecular weight of 305.81 g/mol. Its IUPAC name is hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride.

Molecular Properties

Compound Namehydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride
PubChem CID659831
Molecular FormulaC17H20ClNO2
Molecular Weight305.81 g/mol
Exact Mass305.12
IUPAC Namehydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride
SMILESC(#CCN1CCOCC1)COCC#Cc1ccccc1.[Cl-].[H+]
InChIInChI=1S/C17H19NO2.ClH/c1-2-7-17(8-3-1)9-6-14-19-13-5-4-10-18-11-15-20-16-12-18;/h1-3,7-8H,10-16H2;1H
InChIKeyPBCFHQFJBKVOQB-UHFFFAOYSA-N
XLogP-1.49
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 5-1.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

13-(5-phenylpenta-2,4-diynyl)-1,4,7,10-tetraoxa-13-azacyclopentadecane
CID 102019988
1,4-bis[4-(3-phenoxypropoxy)but-2-ynyl]piperazine
CID 3146122
1,3-bis(3-phenylprop-2-ynyl)imidazolidine
CID 133188423
ethyl 4-(3-morpholin-4-ylprop-1-ynyl)benzoate
CID 11346338
3-(3-diphenylphosphorylprop-2-ynoxy)prop-1-ynylbenzene
CID 51355398
4-[4-(2,5-dichlorophenoxy)but-2-ynyl]morpholine
CID 27241388
4-[(2-chlorophenyl)methyl]-4-[3-[4-(3-morpholin-4-ylprop-1-ynyl)phenyl]prop-2-ynyl]morpholin-4-ium
CID 1426882
3-(2-methylpropoxy)prop-1-ynylbenzene
CID 130395196
2-[2-[2-[2-(3-phenylprop-2-ynoxy)ethoxy]ethoxy]ethoxy]ethanamine
CID 142548631
3-(2,2,2-trifluoroethoxy)prop-1-ynylbenzene
CID 100928911
1-benzhydryl-4-(3-phenylprop-2-ynyl)piperazine;hydrochloride
CID 126480014
4-(3-morpholin-4-yl-2-phenoxypropyl)morpholine dichloride
CID 21228856

Frequently Asked Questions

What is the IUPAC name of hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride?
The IUPAC name of hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride (CID 659831) is hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride.
What is the SMILES notation for hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride?
The canonical SMILES for hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride is C(#CCN1CCOCC1)COCC#Cc1ccccc1.[Cl-].[H+].
What is the InChIKey of hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride?
The InChIKey is PBCFHQFJBKVOQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2.ClH/c1-2-7-17(8-3-1)9-6-14-19-13-5-4-10-18-11-15-20-16-12-18;/h1-3,7-8H,10-16H2;1H.
What are the key properties of hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride?
hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride has a molecular weight of 305.81 g/mol, XLogP of -1.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for hydron;4-[4-(3-phenylprop-2-ynoxy)but-2-ynyl]morpholine;chloride is sourced from PubChem (CID 659831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).