(11E)-11-ethylidene-6H-benzo[c][1]benzoxepine

C16H14O — CID 142906679

IUPAC(11E)-11-ethylidene-6H-benzo[c][1]benzoxepine
SMILESC/C=C1\c2ccccc2COc2ccccc21
InChIInChI=1S/C16H14O/c1-2-13-14-8-4-3-7-12(14)11-17-16-10-6-5-9-15(13)16/h2-10H,11H2,1H3/b13-2+
InChIKeyIOKNUPSMAZWAGW-XNJYKOPJSA-N
MW222.29 g/mol
LogP4.03
Rot. Bonds

About (11E)-11-ethylidene-6H-benzo[c][1]benzoxepine

(11E)-11-ethylidene-6H-benzo[c][1]benzoxepine (PubChem CID 142906679) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is (11E)-11-ethylidene-6H-benzo[c][1]benzoxepine.

Molecular Properties

Compound Name(11E)-11-ethylidene-6H-benzo[c][1]benzoxepine
PubChem CID142906679
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name(11E)-11-ethylidene-6H-benzo[c][1]benzoxepine
SMILESC/C=C1\c2ccccc2COc2ccccc21
InChIInChI=1S/C16H14O/c1-2-13-14-8-4-3-7-12(14)11-17-16-10-6-5-9-15(13)16/h2-10H,11H2,1H3/b13-2+
InChIKeyIOKNUPSMAZWAGW-XNJYKOPJSA-N
XLogP4.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (11E)-11-ethylidene-6H-benzo[c][1]benzoxepine?
The IUPAC name of (11E)-11-ethylidene-6H-benzo[c][1]benzoxepine (CID 142906679) is (11E)-11-ethylidene-6H-benzo[c][1]benzoxepine.
What is the SMILES notation for (11E)-11-ethylidene-6H-benzo[c][1]benzoxepine?
The canonical SMILES for (11E)-11-ethylidene-6H-benzo[c][1]benzoxepine is C/C=C1\c2ccccc2COc2ccccc21.
What is the InChIKey of (11E)-11-ethylidene-6H-benzo[c][1]benzoxepine?
The InChIKey is IOKNUPSMAZWAGW-XNJYKOPJSA-N. The full InChI is InChI=1S/C16H14O/c1-2-13-14-8-4-3-7-12(14)11-17-16-10-6-5-9-15(13)16/h2-10H,11H2,1H3/b13-2+.
What are the key properties of (11E)-11-ethylidene-6H-benzo[c][1]benzoxepine?
(11E)-11-ethylidene-6H-benzo[c][1]benzoxepine has a molecular weight of 222.29 g/mol, XLogP of 4.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (11E)-11-ethylidene-6H-benzo[c][1]benzoxepine is sourced from PubChem (CID 142906679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).