[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol

C16H16FNO2 — CID 106529891

IUPAC[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol
SMILESOCc1cc(F)cc(N2CCOc3ccccc3C2)c1
InChIInChI=1S/C16H16FNO2/c17-14-7-12(11-19)8-15(9-14)18-5-6-20-16-4-2-1-3-13(16)10-18/h1-4,7-9,19H,5-6,10-11H2
InChIKeyRIXOEEXJYPMMBA-UHFFFAOYSA-N
MW273.31 g/mol
LogP2.72
Rot. Bonds2

About [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol

[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol (PubChem CID 106529891) has the molecular formula C16H16FNO2 and a molecular weight of 273.31 g/mol. Its IUPAC name is [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol
PubChem CID106529891
Molecular FormulaC16H16FNO2
Molecular Weight273.31 g/mol
Exact Mass273.12
IUPAC Name[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol
SMILESOCc1cc(F)cc(N2CCOc3ccccc3C2)c1
InChIInChI=1S/C16H16FNO2/c17-14-7-12(11-19)8-15(9-14)18-5-6-20-16-4-2-1-3-13(16)10-18/h1-4,7-9,19H,5-6,10-11H2
InChIKeyRIXOEEXJYPMMBA-UHFFFAOYSA-N
XLogP2.72
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-fluoro-5-nitrophenyl)-3,5-dihydro-2H-1,4-benzoxazepine
CID 80751905
[3-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-fluorophenyl]methanol
CID 106529644
4-[(3-bromo-5-fluorophenyl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 79706573
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzoic acid
CID 63193098
5-bromo-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-4-fluoroaniline
CID 66112114
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorobenzonitrile
CID 63669558
1-[4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-fluorophenyl]-N-methylmethanamine
CID 63193329
(3-fluoro-5-thiomorpholin-4-ylphenyl)methanol
CID 106529680
4-chloro-2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)aniline
CID 115468958
[3-(4,4-diethylpiperidin-1-yl)-5-fluorophenyl]methanol
CID 106529884
4-amino-3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)benzamide
CID 63356618
4-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-3-fluorobenzenecarboximidamide
CID 63192924

Frequently Asked Questions

What is the IUPAC name of [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol?
The IUPAC name of [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol (CID 106529891) is [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol.
What is the SMILES notation for [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol?
The canonical SMILES for [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol is OCc1cc(F)cc(N2CCOc3ccccc3C2)c1.
What is the InChIKey of [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol?
The InChIKey is RIXOEEXJYPMMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNO2/c17-14-7-12(11-19)8-15(9-14)18-5-6-20-16-4-2-1-3-13(16)10-18/h1-4,7-9,19H,5-6,10-11H2.
What are the key properties of [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol?
[3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol has a molecular weight of 273.31 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-5-fluorophenyl]methanol is sourced from PubChem (CID 106529891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).