2-(7-morpholin-2-ylheptoxy)phenol

C17H27NO3 — CID 118324919

IUPAC2-(7-morpholin-2-ylheptoxy)phenol
SMILESOc1ccccc1OCCCCCCCC1CNCCO1
InChIInChI=1S/C17H27NO3/c19-16-9-5-6-10-17(16)21-12-7-3-1-2-4-8-15-14-18-11-13-20-15/h5-6,9-10,15,18-19H,1-4,7-8,11-14H2
InChIKeyRDEUMVJIUIPGCO-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.10
Rot. Bonds9

About 2-(7-morpholin-2-ylheptoxy)phenol

2-(7-morpholin-2-ylheptoxy)phenol (PubChem CID 118324919) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is 2-(7-morpholin-2-ylheptoxy)phenol.

Molecular Properties

Compound Name2-(7-morpholin-2-ylheptoxy)phenol
PubChem CID118324919
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Name2-(7-morpholin-2-ylheptoxy)phenol
SMILESOc1ccccc1OCCCCCCCC1CNCCO1
InChIInChI=1S/C17H27NO3/c19-16-9-5-6-10-17(16)21-12-7-3-1-2-4-8-15-14-18-11-13-20-15/h5-6,9-10,15,18-19H,1-4,7-8,11-14H2
InChIKeyRDEUMVJIUIPGCO-UHFFFAOYSA-N
XLogP3.10
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-morpholin-2-ylbutan-1-ol
CID 66968859
2-heptylmorpholine
CID 65122133
(2R)-2-dodecylmorpholine
CID 129384651
2-(6-bromohexyl)morpholine
CID 175195484
(2R)-2-[(2-chlorophenoxy)methyl]morpholine
CID 42048764
1-[2-(2-methoxyethoxy)phenyl]-2-morpholin-2-ylethanone
CID 116586332
2-morpholin-2-ylethanol;toluene
CID 118211589
bis(2-[(2-ethoxyphenoxy)methyl]morpholine);hydrochloride
CID 157316678
2-[(2-ethoxyphenoxy)methyl]morpholine;methane
CID 158820908
2-[[2-(4-phenylbutyl)phenoxy]methyl]morpholine
CID 19424036
2-hexadecylmorpholine;hydrobromide
CID 174842760
2-[[(2R)-morpholin-2-yl]methoxy]benzamide
CID 175701608

Frequently Asked Questions

What is the IUPAC name of 2-(7-morpholin-2-ylheptoxy)phenol?
The IUPAC name of 2-(7-morpholin-2-ylheptoxy)phenol (CID 118324919) is 2-(7-morpholin-2-ylheptoxy)phenol.
What is the SMILES notation for 2-(7-morpholin-2-ylheptoxy)phenol?
The canonical SMILES for 2-(7-morpholin-2-ylheptoxy)phenol is Oc1ccccc1OCCCCCCCC1CNCCO1.
What is the InChIKey of 2-(7-morpholin-2-ylheptoxy)phenol?
The InChIKey is RDEUMVJIUIPGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c19-16-9-5-6-10-17(16)21-12-7-3-1-2-4-8-15-14-18-11-13-20-15/h5-6,9-10,15,18-19H,1-4,7-8,11-14H2.
What are the key properties of 2-(7-morpholin-2-ylheptoxy)phenol?
2-(7-morpholin-2-ylheptoxy)phenol has a molecular weight of 293.41 g/mol, XLogP of 3.10, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-morpholin-2-ylheptoxy)phenol is sourced from PubChem (CID 118324919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).