2-[azepan-2-yl(hydroxy)methyl]phenol

C13H19NO2 — CID 84686926

IUPAC2-[azepan-2-yl(hydroxy)methyl]phenol
SMILESOc1ccccc1C(O)C1CCCCCN1
InChIInChI=1S/C13H19NO2/c15-12-8-4-3-6-10(12)13(16)11-7-2-1-5-9-14-11/h3-4,6,8,11,13-16H,1-2,5,7,9H2
InChIKeyQEHDZTLBCTZMTH-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds2

About 2-[azepan-2-yl(hydroxy)methyl]phenol

2-[azepan-2-yl(hydroxy)methyl]phenol (PubChem CID 84686926) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-[azepan-2-yl(hydroxy)methyl]phenol.

Molecular Properties

Compound Name2-[azepan-2-yl(hydroxy)methyl]phenol
PubChem CID84686926
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name2-[azepan-2-yl(hydroxy)methyl]phenol
SMILESOc1ccccc1C(O)C1CCCCCN1
InChIInChI=1S/C13H19NO2/c15-12-8-4-3-6-10(12)13(16)11-7-2-1-5-9-14-11/h3-4,6,8,11,13-16H,1-2,5,7,9H2
InChIKeyQEHDZTLBCTZMTH-UHFFFAOYSA-N
XLogP1.96
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654197
3-chloro-4-[hydroxy(piperidin-2-yl)methyl]phenol;(2-fluorophenyl)-piperidin-2-ylmethanol
CID 158994486
(2-chlorophenyl)-pyrrolidin-2-ylmethanol;propane
CID 142544047
azepan-2-yl-(2-methylquinolin-4-yl)methanol
CID 79235774
(R)-(2,3-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 148871488
phenyl-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 68687169
(2,3,4,5,6-pentamethylphenyl)-piperidin-2-ylmethanol
CID 64866585
isoquinolin-5-yl(piperidin-2-yl)methanol
CID 106634641
azepan-2-yl-(2-bromo-5-chlorophenyl)methanol
CID 66157676
(2-amino-3-pyridinyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 164654106
(2-amino-3-pyridinyl)-pyrrolidin-2-ylmethanol
CID 106639861
(S)-cyclohexyl-[(2S)-piperidin-2-yl]methanol
CID 102268028

Frequently Asked Questions

What is the IUPAC name of 2-[azepan-2-yl(hydroxy)methyl]phenol?
The IUPAC name of 2-[azepan-2-yl(hydroxy)methyl]phenol (CID 84686926) is 2-[azepan-2-yl(hydroxy)methyl]phenol.
What is the SMILES notation for 2-[azepan-2-yl(hydroxy)methyl]phenol?
The canonical SMILES for 2-[azepan-2-yl(hydroxy)methyl]phenol is Oc1ccccc1C(O)C1CCCCCN1.
What is the InChIKey of 2-[azepan-2-yl(hydroxy)methyl]phenol?
The InChIKey is QEHDZTLBCTZMTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c15-12-8-4-3-6-10(12)13(16)11-7-2-1-5-9-14-11/h3-4,6,8,11,13-16H,1-2,5,7,9H2.
What are the key properties of 2-[azepan-2-yl(hydroxy)methyl]phenol?
2-[azepan-2-yl(hydroxy)methyl]phenol has a molecular weight of 221.30 g/mol, XLogP of 1.96, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[azepan-2-yl(hydroxy)methyl]phenol is sourced from PubChem (CID 84686926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).