2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol

C12H16FNO2 — CID 107694057

IUPAC2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
SMILESOc1ccc(CN2CCCOCC2)cc1F
InChIInChI=1S/C12H16FNO2/c13-11-8-10(2-3-12(11)15)9-14-4-1-6-16-7-5-14/h2-3,8,15H,1,4-7,9H2
InChIKeyFKFMZDDFACGVQB-UHFFFAOYSA-N
MW225.26 g/mol
LogP1.75
Rot. Bonds2

About 2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol

2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol (PubChem CID 107694057) has the molecular formula C12H16FNO2 and a molecular weight of 225.26 g/mol. Its IUPAC name is 2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol.

Molecular Properties

Compound Name2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
PubChem CID107694057
Molecular FormulaC12H16FNO2
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Name2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol
SMILESOc1ccc(CN2CCCOCC2)cc1F
InChIInChI=1S/C12H16FNO2/c13-11-8-10(2-3-12(11)15)9-14-4-1-6-16-7-5-14/h2-3,8,15H,1,4-7,9H2
InChIKeyFKFMZDDFACGVQB-UHFFFAOYSA-N
XLogP1.75
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylmethyl)-2-fluorophenol
CID 107693924
2-methoxy-5-(1,4-oxazepan-4-ylmethyl)phenol
CID 82979671
2-fluoro-5-(1,4-oxazepan-4-ylmethyl)benzonitrile
CID 103758445
[4-(1,4-oxazepan-4-ylmethyl)phenyl]methanol
CID 112631236
2-fluoro-5-(pyrrolidin-1-ylmethyl)phenol
CID 117221584
2-(morpholin-4-ylmethyl)-5-(piperidin-1-ylmethyl)benzene-1,4-diol
CID 90293198
2,4-bis(morpholin-4-ylmethyl)-6-(1,4-oxazepan-4-ylmethyl)phenol
CID 144964322
2-fluoro-4-(morpholin-4-ylmethyl)benzonitrile
CID 66703677
2-fluoro-4-[(3-methylpiperidin-1-yl)methyl]phenol
CID 107693923
4-(1,4-oxazepan-4-ylmethyl)aniline
CID 62988786
2-methyl-5-(1,4-oxazepan-4-ylmethyl)aniline
CID 62972113
4-[[4-[2-(dimethylamino)ethyl]piperazin-1-yl]methyl]-2-fluorophenol
CID 107694036

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol?
The IUPAC name of 2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol (CID 107694057) is 2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol.
What is the SMILES notation for 2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol?
The canonical SMILES for 2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol is Oc1ccc(CN2CCCOCC2)cc1F.
What is the InChIKey of 2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol?
The InChIKey is FKFMZDDFACGVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO2/c13-11-8-10(2-3-12(11)15)9-14-4-1-6-16-7-5-14/h2-3,8,15H,1,4-7,9H2.
What are the key properties of 2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol?
2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol has a molecular weight of 225.26 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-(1,4-oxazepan-4-ylmethyl)phenol is sourced from PubChem (CID 107694057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).