2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol

C14H11FO2 — CID 174333366

IUPAC2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol
SMILESOC1OCc2ccccc2-c2cc(F)ccc21
InChIInChI=1S/C14H11FO2/c15-10-5-6-12-13(7-10)11-4-2-1-3-9(11)8-17-14(12)16/h1-7,14,16H,8H2
InChIKeyONBPJJLKKLFZEK-UHFFFAOYSA-N
MW230.24 g/mol
LogP3.01
Rot. Bonds

About 2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol

2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol (PubChem CID 174333366) has the molecular formula C14H11FO2 and a molecular weight of 230.24 g/mol. Its IUPAC name is 2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol.

Molecular Properties

Compound Name2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol
PubChem CID174333366
Molecular FormulaC14H11FO2
Molecular Weight230.24 g/mol
Exact Mass230.07
IUPAC Name2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol
SMILESOC1OCc2ccccc2-c2cc(F)ccc21
InChIInChI=1S/C14H11FO2/c15-10-5-6-12-13(7-10)11-4-2-1-3-9(11)8-17-14(12)16/h1-7,14,16H,8H2
InChIKeyONBPJJLKKLFZEK-UHFFFAOYSA-N
XLogP3.01
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol?
The IUPAC name of 2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol (CID 174333366) is 2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol.
What is the SMILES notation for 2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol?
The canonical SMILES for 2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol is OC1OCc2ccccc2-c2cc(F)ccc21.
What is the InChIKey of 2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol?
The InChIKey is ONBPJJLKKLFZEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FO2/c15-10-5-6-12-13(7-10)11-4-2-1-3-9(11)8-17-14(12)16/h1-7,14,16H,8H2.
What are the key properties of 2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol?
2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol has a molecular weight of 230.24 g/mol, XLogP of 3.01, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5,7-dihydrobenzo[d][2]benzoxepin-5-ol is sourced from PubChem (CID 174333366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).