benzo[d][2]benzoxepine

C14H10O — CID 606620

IUPACbenzo[d][2]benzoxepine
SMILESC1=c2ccccc2=c2ccccc2=CO1
InChIInChI=1S/C14H10O/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14(12)13/h1-10H
InChIKeyBGXLAWQGTYAERO-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.48
Rot. Bonds

About benzo[d][2]benzoxepine

benzo[d][2]benzoxepine (PubChem CID 606620) has the molecular formula C14H10O and a molecular weight of 194.23 g/mol. Its IUPAC name is benzo[d][2]benzoxepine.

Molecular Properties

Compound Namebenzo[d][2]benzoxepine
PubChem CID606620
Molecular FormulaC14H10O
Molecular Weight194.23 g/mol
Exact Mass194.07
IUPAC Namebenzo[d][2]benzoxepine
SMILESC1=c2ccccc2=c2ccccc2=CO1
InChIInChI=1S/C14H10O/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14(12)13/h1-10H
InChIKeyBGXLAWQGTYAERO-UHFFFAOYSA-N
XLogP1.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of benzo[d][2]benzoxepine?
The IUPAC name of benzo[d][2]benzoxepine (CID 606620) is benzo[d][2]benzoxepine.
What is the SMILES notation for benzo[d][2]benzoxepine?
The canonical SMILES for benzo[d][2]benzoxepine is C1=c2ccccc2=c2ccccc2=CO1.
What is the InChIKey of benzo[d][2]benzoxepine?
The InChIKey is BGXLAWQGTYAERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10O/c1-3-7-13-11(5-1)9-15-10-12-6-2-4-8-14(12)13/h1-10H.
What are the key properties of benzo[d][2]benzoxepine?
benzo[d][2]benzoxepine has a molecular weight of 194.23 g/mol, XLogP of 1.48, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for benzo[d][2]benzoxepine is sourced from PubChem (CID 606620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).