2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride

C16H26ClNO3 — CID 141298267

IUPAC2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride
SMILESCCCCOc1ccc(C2CN(CCO)CCO2)cc1.Cl
InChIInChI=1S/C16H25NO3.ClH/c1-2-3-11-19-15-6-4-14(5-7-15)16-13-17(8-10-18)9-12-20-16;/h4-7,16,18H,2-3,8-13H2,1H3;1H
InChIKeyQWOAVFQCIBEDDJ-UHFFFAOYSA-N
MW315.84 g/mol
LogP2.65
Rot. Bonds7

About 2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride

2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride (PubChem CID 141298267) has the molecular formula C16H26ClNO3 and a molecular weight of 315.84 g/mol. Its IUPAC name is 2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride.

Molecular Properties

Compound Name2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride
PubChem CID141298267
Molecular FormulaC16H26ClNO3
Molecular Weight315.84 g/mol
Exact Mass315.16
IUPAC Name2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride
SMILESCCCCOc1ccc(C2CN(CCO)CCO2)cc1.Cl
InChIInChI=1S/C16H25NO3.ClH/c1-2-3-11-19-15-6-4-14(5-7-15)16-13-17(8-10-18)9-12-20-16;/h4-7,16,18H,2-3,8-13H2,1H3;1H
InChIKeyQWOAVFQCIBEDDJ-UHFFFAOYSA-N
XLogP2.65
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.84
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2S)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564158
3-[(2R)-2-(4-heptoxyphenyl)morpholin-4-yl]propanoic acid
CID 124564157
3-[(2R)-2-[4-(5-oxohexoxy)phenyl]morpholin-4-yl]propanoic acid
CID 124564116
butan-2-yloxy-[3-[2-(4-octoxyphenyl)morpholin-4-yl]propyl]phosphinic acid
CID 87243640
(2S)-2-(4-fluorophenyl)-4-[2-(4-methylsulfanylphenoxy)ethyl]morpholine
CID 95783521
4-butoxy-N-[4-(4-ethylmorpholin-2-yl)phenyl]benzenesulfonamide
CID 24816326
3-[2-(4-hex-5-ynoxyphenyl)morpholin-4-yl]propanoic acid
CID 51002386
3-[2-[4-[3-(4-chlorophenyl)propoxy]phenyl]morpholin-4-yl]propanoyl chloride
CID 142765989
3-[2-(4-phenoxyphenyl)morpholin-4-yl]propanoic acid;hydrochloride
CID 66654044
2-[4-(4-chlorophenoxy)phenyl]-4-ethylmorpholine
CID 142654768
3-[2-[4-(2-methoxyphenoxy)phenyl]morpholin-4-yl]propanoic acid;hydrochloride
CID 66653995
1-[2-(4-chlorophenyl)morpholin-4-yl]-2-(4-propoxyphenoxy)ethanone
CID 60552824

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride?
The IUPAC name of 2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride (CID 141298267) is 2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride.
What is the SMILES notation for 2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride?
The canonical SMILES for 2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride is CCCCOc1ccc(C2CN(CCO)CCO2)cc1.Cl.
What is the InChIKey of 2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride?
The InChIKey is QWOAVFQCIBEDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO3.ClH/c1-2-3-11-19-15-6-4-14(5-7-15)16-13-17(8-10-18)9-12-20-16;/h4-7,16,18H,2-3,8-13H2,1H3;1H.
What are the key properties of 2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride?
2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride has a molecular weight of 315.84 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-butoxyphenyl)morpholin-4-yl]ethanol;hydrochloride is sourced from PubChem (CID 141298267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).