[3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol

C12H16FNO2 — CID 105482953

IUPAC[3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol
SMILESOCC1(c2ccc(F)cc2)COCCCN1
InChIInChI=1S/C12H16FNO2/c13-11-4-2-10(3-5-11)12(8-15)9-16-7-1-6-14-12/h2-5,14-15H,1,6-9H2
InChIKeyATMQTXLMLZENCE-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.02
Rot. Bonds2

About [3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol

[3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol (PubChem CID 105482953) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol
PubChem CID105482953
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name[3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol
SMILESOCC1(c2ccc(F)cc2)COCCCN1
InChIInChI=1S/C12H16FNO2/c13-11-4-2-10(3-5-11)12(8-15)9-16-7-1-6-14-12/h2-5,14-15H,1,6-9H2
InChIKeyATMQTXLMLZENCE-UHFFFAOYSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[3-(hydroxymethyl)-1,4-oxazepan-3-yl]phenol
CID 105480408
[3-(4-chlorophenyl)morpholin-3-yl]methanol
CID 105485025
[3-(3-fluorophenyl)morpholin-3-yl]methanol
CID 105464862
[3-(2-fluorophenyl)morpholin-3-yl]methanol
CID 105464864
(3R)-3-(4-fluorophenyl)oxane-3-carbonitrile
CID 125450406
ethane;3-(4-fluorophenyl)-3-methyloxane
CID 143760274
2-(2,2-dimethylpropyl)-2-(4-fluorophenyl)piperidine
CID 115058723
(3-phenyloxan-3-yl)methanol
CID 168870348
(3-tert-butyl-1,4-oxazepan-3-yl)methanol
CID 105442734
[2-(4-fluorophenyl)azetidin-2-yl]methanamine
CID 115059268
3-(methoxymethyl)-3-(4-methoxyphenyl)morpholine
CID 117272233
2-(4-fluorophenyl)-2-phenylpiperidine
CID 173184389

Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol?
The IUPAC name of [3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol (CID 105482953) is [3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol.
What is the SMILES notation for [3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol?
The canonical SMILES for [3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol is OCC1(c2ccc(F)cc2)COCCCN1.
What is the InChIKey of [3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol?
The InChIKey is ATMQTXLMLZENCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-11-4-2-10(3-5-11)12(8-15)9-16-7-1-6-14-12/h2-5,14-15H,1,6-9H2.
What are the key properties of [3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol?
[3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol has a molecular weight of 225.26 g/mol, XLogP of 1.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-1,4-oxazepan-3-yl]methanol is sourced from PubChem (CID 105482953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).