2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol

C15H23NO2 — CID 117243887

IUPAC2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol
SMILESOCC(CN1CCCCCC1)c1ccccc1O
InChIInChI=1S/C15H23NO2/c17-12-13(14-7-3-4-8-15(14)18)11-16-9-5-1-2-6-10-16/h3-4,7-8,13,17-18H,1-2,5-6,9-12H2
InChIKeyZEKYGITYGNNVNW-UHFFFAOYSA-N
MW249.35 g/mol
LogP2.34
Rot. Bonds4

About 2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol

2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol (PubChem CID 117243887) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol.

Molecular Properties

Compound Name2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol
PubChem CID117243887
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol
SMILESOCC(CN1CCCCCC1)c1ccccc1O
InChIInChI=1S/C15H23NO2/c17-12-13(14-7-3-4-8-15(14)18)11-16-9-5-1-2-6-10-16/h3-4,7-8,13,17-18H,1-2,5-6,9-12H2
InChIKeyZEKYGITYGNNVNW-UHFFFAOYSA-N
XLogP2.34
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-hydroxy-3-pyrrolidin-1-ylpropan-2-yl)phenol
CID 117243867
3-pyrrolidin-1-yl-2-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 117243860
2-[1-amino-2-(azepan-1-yl)ethyl]phenol
CID 117243601
3-piperidin-1-yl-2-thiophen-2-ylpropan-1-ol
CID 117240379
3-(azepan-1-yl)-2-(2-chlorophenyl)propan-1-amine
CID 82107556
2-[1-(1-pyrrolidin-1-ylpropan-2-ylamino)propyl]phenol
CID 61471961
3-(azepan-1-yl)-2-[4-(trifluoromethyl)phenyl]propan-1-ol
CID 117244790
(1S)-1-naphthalen-1-yl-2-piperidin-1-ylethanol
CID 117063130
2-(5-methylthiophen-2-yl)-3-pyrrolidin-1-ylpropan-1-ol
CID 117240368
1-naphthalen-1-yl-2-piperidin-1-ylethanol;hydrochloride
CID 3047655
2-[1-hydroxy-3-(4-hydroxyphenoxy)propan-2-yl]phenol
CID 117244097
2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide
CID 67700058

Frequently Asked Questions

What is the IUPAC name of 2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol?
The IUPAC name of 2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol (CID 117243887) is 2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol.
What is the SMILES notation for 2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol?
The canonical SMILES for 2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol is OCC(CN1CCCCCC1)c1ccccc1O.
What is the InChIKey of 2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol?
The InChIKey is ZEKYGITYGNNVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c17-12-13(14-7-3-4-8-15(14)18)11-16-9-5-1-2-6-10-16/h3-4,7-8,13,17-18H,1-2,5-6,9-12H2.
What are the key properties of 2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol?
2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol has a molecular weight of 249.35 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(azepan-1-yl)-3-hydroxypropan-2-yl]phenol is sourced from PubChem (CID 117243887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).