2-(4-morpholin-4-ylbutyl)phenol

C14H21NO2 — CID 142043469

IUPAC2-(4-morpholin-4-ylbutyl)phenol
SMILESOc1ccccc1CCCCN1CCOCC1
InChIInChI=1S/C14H21NO2/c16-14-7-2-1-5-13(14)6-3-4-8-15-9-11-17-12-10-15/h1-2,5,7,16H,3-4,6,8-12H2
InChIKeyZGLFOKYJEUYTCR-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.05
Rot. Bonds5

About 2-(4-morpholin-4-ylbutyl)phenol

2-(4-morpholin-4-ylbutyl)phenol (PubChem CID 142043469) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 2-(4-morpholin-4-ylbutyl)phenol.

Molecular Properties

Compound Name2-(4-morpholin-4-ylbutyl)phenol
PubChem CID142043469
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name2-(4-morpholin-4-ylbutyl)phenol
SMILESOc1ccccc1CCCCN1CCOCC1
InChIInChI=1S/C14H21NO2/c16-14-7-2-1-5-13(14)6-3-4-8-15-9-11-17-12-10-15/h1-2,5,7,16H,3-4,6,8-12H2
InChIKeyZGLFOKYJEUYTCR-UHFFFAOYSA-N
XLogP2.05
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-piperazin-1-ylbutyl)phenol
CID 83930504
4-[3-[2-[4-[2-(3-morpholin-4-ylpropyl)phenyl]piperazin-1-yl]phenyl]propyl]morpholine
CID 170869798
4-[2-(3-morpholin-4-ylpropyl)phenyl]-1-phenylbutan-1-one
CID 54071748
4-(4-morpholin-4-ylbutyl)phenol
CID 82188001
4-[3-[3-(3-morpholin-4-ylpropyl)naphthalen-2-yl]propyl]morpholine
CID 170869299
2-(4-morpholin-4-ylbutoxy)phenol
CID 10214621
2-(8-morpholin-4-yloctoxy)phenol
CID 10193177
2-(6-morpholin-4-ylhexoxy)phenol
CID 10149383
4-[3-[2-(3-morpholin-4-ylpropoxy)phenyl]propyl]morpholine
CID 170869645
4-[3-[2-(2-fluorophenyl)phenyl]propyl]morpholine
CID 170869953
3-chloro-2-(3-morpholin-4-ylpropyl)phenol
CID 170869480
3-fluoro-4-(3-morpholin-4-ylpropyl)phenol
CID 170869738

Frequently Asked Questions

What is the IUPAC name of 2-(4-morpholin-4-ylbutyl)phenol?
The IUPAC name of 2-(4-morpholin-4-ylbutyl)phenol (CID 142043469) is 2-(4-morpholin-4-ylbutyl)phenol.
What is the SMILES notation for 2-(4-morpholin-4-ylbutyl)phenol?
The canonical SMILES for 2-(4-morpholin-4-ylbutyl)phenol is Oc1ccccc1CCCCN1CCOCC1.
What is the InChIKey of 2-(4-morpholin-4-ylbutyl)phenol?
The InChIKey is ZGLFOKYJEUYTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-14-7-2-1-5-13(14)6-3-4-8-15-9-11-17-12-10-15/h1-2,5,7,16H,3-4,6,8-12H2.
What are the key properties of 2-(4-morpholin-4-ylbutyl)phenol?
2-(4-morpholin-4-ylbutyl)phenol has a molecular weight of 235.33 g/mol, XLogP of 2.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-morpholin-4-ylbutyl)phenol is sourced from PubChem (CID 142043469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).