8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine

C15H11ClO — CID 142258026

IUPAC8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine
SMILESC=C1c2ccc(Cl)cc2COc2ccccc21
InChIInChI=1S/C15H11ClO/c1-10-13-7-6-12(16)8-11(13)9-17-15-5-3-2-4-14(10)15/h2-8H,1,9H2
InChIKeyKCSBQKHICKYUEY-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.29
Rot. Bonds

About 8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine

8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine (PubChem CID 142258026) has the molecular formula C15H11ClO and a molecular weight of 242.71 g/mol. Its IUPAC name is 8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine.

Molecular Properties

Compound Name8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine
PubChem CID142258026
Molecular FormulaC15H11ClO
Molecular Weight242.71 g/mol
Exact Mass242.05
IUPAC Name8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine
SMILESC=C1c2ccc(Cl)cc2COc2ccccc21
InChIInChI=1S/C15H11ClO/c1-10-13-7-6-12(16)8-11(13)9-17-15-5-3-2-4-14(10)15/h2-8H,1,9H2
InChIKeyKCSBQKHICKYUEY-UHFFFAOYSA-N
XLogP4.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine?
The IUPAC name of 8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine (CID 142258026) is 8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine.
What is the SMILES notation for 8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine?
The canonical SMILES for 8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine is C=C1c2ccc(Cl)cc2COc2ccccc21.
What is the InChIKey of 8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine?
The InChIKey is KCSBQKHICKYUEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClO/c1-10-13-7-6-12(16)8-11(13)9-17-15-5-3-2-4-14(10)15/h2-8H,1,9H2.
What are the key properties of 8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine?
8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine has a molecular weight of 242.71 g/mol, XLogP of 4.29, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-11-methylidene-6H-benzo[c][1]benzoxepine is sourced from PubChem (CID 142258026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).