4-[1-(azepan-4-yl)ethoxy]phenol

C14H21NO2 — CID 105496669

IUPAC4-[1-(azepan-4-yl)ethoxy]phenol
SMILESCC(Oc1ccc(O)cc1)C1CCCNCC1
InChIInChI=1S/C14H21NO2/c1-11(12-3-2-9-15-10-8-12)17-14-6-4-13(16)5-7-14/h4-7,11-12,15-16H,2-3,8-10H2,1H3
InChIKeyYEEYDILYOICLAL-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.55
Rot. Bonds3

About 4-[1-(azepan-4-yl)ethoxy]phenol

4-[1-(azepan-4-yl)ethoxy]phenol (PubChem CID 105496669) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 4-[1-(azepan-4-yl)ethoxy]phenol.

Molecular Properties

Compound Name4-[1-(azepan-4-yl)ethoxy]phenol
PubChem CID105496669
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name4-[1-(azepan-4-yl)ethoxy]phenol
SMILESCC(Oc1ccc(O)cc1)C1CCCNCC1
InChIInChI=1S/C14H21NO2/c1-11(12-3-2-9-15-10-8-12)17-14-6-4-13(16)5-7-14/h4-7,11-12,15-16H,2-3,8-10H2,1H3
InChIKeyYEEYDILYOICLAL-UHFFFAOYSA-N
XLogP2.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-piperidin-3-ylethyl)phenol
CID 83908771
ethane;4-propan-2-yloxyphenol
CID 142348653
4-[1-(3,5-difluorophenoxy)ethyl]piperidine
CID 117051139
4-(4-propan-2-yloxyphenoxy)piperidine
CID 89453291
1-bromo-4-(1-cyclohexylethoxy)benzene
CID 68813253
[4-(1-cyclohexylethoxy)phenyl]methanol
CID 68815340
4-[1-(2-methoxyphenoxy)ethyl]piperidine
CID 105496691
4-(1-piperidin-2-ylpropan-2-yloxy)phenol
CID 105496690
1-(1-cyclohexylethoxy)-4-pentan-3-ylbenzene
CID 176831557
2-(4-hydroxyphenyl)-N-(1-piperidin-3-ylethyl)acetamide
CID 62046897
4-(1-fluoroethyl)azepane
CID 105428868
3-(1-naphthalen-2-yloxyethyl)pyrrolidine
CID 59544011

Frequently Asked Questions

What is the IUPAC name of 4-[1-(azepan-4-yl)ethoxy]phenol?
The IUPAC name of 4-[1-(azepan-4-yl)ethoxy]phenol (CID 105496669) is 4-[1-(azepan-4-yl)ethoxy]phenol.
What is the SMILES notation for 4-[1-(azepan-4-yl)ethoxy]phenol?
The canonical SMILES for 4-[1-(azepan-4-yl)ethoxy]phenol is CC(Oc1ccc(O)cc1)C1CCCNCC1.
What is the InChIKey of 4-[1-(azepan-4-yl)ethoxy]phenol?
The InChIKey is YEEYDILYOICLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-11(12-3-2-9-15-10-8-12)17-14-6-4-13(16)5-7-14/h4-7,11-12,15-16H,2-3,8-10H2,1H3.
What are the key properties of 4-[1-(azepan-4-yl)ethoxy]phenol?
4-[1-(azepan-4-yl)ethoxy]phenol has a molecular weight of 235.33 g/mol, XLogP of 2.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(azepan-4-yl)ethoxy]phenol is sourced from PubChem (CID 105496669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).