1,2-dihydrobenzo[c][1]benzoxepine

C14H12O — CID 87554976

IUPAC1,2-dihydrobenzo[c][1]benzoxepine
SMILESC1=CC2=C(C=c3ccccc3=CO2)CC1
InChIInChI=1S/C14H12O/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-2,4-5,7-10H,3,6H2
InChIKeyXHIVCFBZIBGSNI-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.84
Rot. Bonds

About 1,2-dihydrobenzo[c][1]benzoxepine

1,2-dihydrobenzo[c][1]benzoxepine (PubChem CID 87554976) has the molecular formula C14H12O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1,2-dihydrobenzo[c][1]benzoxepine.

Molecular Properties

Compound Name1,2-dihydrobenzo[c][1]benzoxepine
PubChem CID87554976
Molecular FormulaC14H12O
Molecular Weight196.25 g/mol
Exact Mass196.09
IUPAC Name1,2-dihydrobenzo[c][1]benzoxepine
SMILESC1=CC2=C(C=c3ccccc3=CO2)CC1
InChIInChI=1S/C14H12O/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-2,4-5,7-10H,3,6H2
InChIKeyXHIVCFBZIBGSNI-UHFFFAOYSA-N
XLogP1.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrobenzo[c][1]benzoxepine?
The IUPAC name of 1,2-dihydrobenzo[c][1]benzoxepine (CID 87554976) is 1,2-dihydrobenzo[c][1]benzoxepine.
What is the SMILES notation for 1,2-dihydrobenzo[c][1]benzoxepine?
The canonical SMILES for 1,2-dihydrobenzo[c][1]benzoxepine is C1=CC2=C(C=c3ccccc3=CO2)CC1.
What is the InChIKey of 1,2-dihydrobenzo[c][1]benzoxepine?
The InChIKey is XHIVCFBZIBGSNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12O/c1-2-7-13-10-15-14-8-4-3-6-12(14)9-11(13)5-1/h1-2,4-5,7-10H,3,6H2.
What are the key properties of 1,2-dihydrobenzo[c][1]benzoxepine?
1,2-dihydrobenzo[c][1]benzoxepine has a molecular weight of 196.25 g/mol, XLogP of 1.84, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrobenzo[c][1]benzoxepine is sourced from PubChem (CID 87554976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).