[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol

C12H16ClNO2 — CID 114845567

IUPAC[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
SMILESOCc1cc(Cl)ccc1N1CCCOCC1
InChIInChI=1S/C12H16ClNO2/c13-11-2-3-12(10(8-11)9-15)14-4-1-6-16-7-5-14/h2-3,8,15H,1,4-7,9H2
InChIKeyRQKTWHFOKLLIKL-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.06
Rot. Bonds2

About [5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol

[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol (PubChem CID 114845567) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is [5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol.

Molecular Properties

Compound Name[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
PubChem CID114845567
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol
SMILESOCc1cc(Cl)ccc1N1CCCOCC1
InChIInChI=1S/C12H16ClNO2/c13-11-2-3-12(10(8-11)9-15)14-4-1-6-16-7-5-14/h2-3,8,15H,1,4-7,9H2
InChIKeyRQKTWHFOKLLIKL-UHFFFAOYSA-N
XLogP2.06
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(5-chloro-2-morpholin-4-ylphenyl)propanoic acid
CID 117427366
5-chloro-2-(1,4-oxazepan-4-yl)aniline
CID 62987959
N-[[4-chloro-2-(1,4-oxazepan-4-yl)phenyl]methyl]ethanamine
CID 114850847
[5-chloro-2-(2-ethyl-1,4-oxazepan-4-yl)phenyl]methanol
CID 114218552
1-(5-chloro-2-morpholin-4-ylphenyl)-2-methylpropan-2-amine
CID 117425635
4-chloro-2-(1,4-oxazepan-4-yl)benzaldehyde
CID 114844265
N-[[4-chloro-2-(1,4-oxazepan-4-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 114850835
[5-[(7-chloroquinolin-4-yl)amino]-2-morpholin-4-ylphenyl]methanol;hydrochloride
CID 67247174
[5-chloro-2-(3,3-diethylpyrrolidin-1-yl)phenyl]methanol
CID 114845752
[2-(azepan-1-yl)-5-chlorophenyl]methanamine
CID 62493124
2-(4-chloro-2-morpholin-4-ylphenyl)ethanamine
CID 114860184
2-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-cyclopentylguanidine;hydroiodide
CID 120679689

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol?
The IUPAC name of [5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol (CID 114845567) is [5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol.
What is the SMILES notation for [5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol?
The canonical SMILES for [5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol is OCc1cc(Cl)ccc1N1CCCOCC1.
What is the InChIKey of [5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol?
The InChIKey is RQKTWHFOKLLIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClNO2/c13-11-2-3-12(10(8-11)9-15)14-4-1-6-16-7-5-14/h2-3,8,15H,1,4-7,9H2.
What are the key properties of [5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol?
[5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol has a molecular weight of 241.72 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-(1,4-oxazepan-4-yl)phenyl]methanol is sourced from PubChem (CID 114845567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).