6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine

C14H12ClNO — CID 13409410

IUPAC6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine
SMILESClc1cccc2c1Oc1ccccc1CCN2
InChIInChI=1S/C14H12ClNO/c15-11-5-3-6-12-14(11)17-13-7-2-1-4-10(13)8-9-16-12/h1-7,16H,8-9H2
InChIKeySGEMEEBUUPKLGJ-UHFFFAOYSA-N
MW245.71 g/mol
LogP4.10
Rot. Bonds

About 6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine

6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine (PubChem CID 13409410) has the molecular formula C14H12ClNO and a molecular weight of 245.71 g/mol. Its IUPAC name is 6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine.

Molecular Properties

Compound Name6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine
PubChem CID13409410
Molecular FormulaC14H12ClNO
Molecular Weight245.71 g/mol
Exact Mass245.06
IUPAC Name6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine
SMILESClc1cccc2c1Oc1ccccc1CCN2
InChIInChI=1S/C14H12ClNO/c15-11-5-3-6-12-14(11)17-13-7-2-1-4-10(13)8-9-16-12/h1-7,16H,8-9H2
InChIKeySGEMEEBUUPKLGJ-UHFFFAOYSA-N
XLogP4.10
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.71
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine?
The IUPAC name of 6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine (CID 13409410) is 6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine.
What is the SMILES notation for 6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine?
The canonical SMILES for 6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine is Clc1cccc2c1Oc1ccccc1CCN2.
What is the InChIKey of 6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine?
The InChIKey is SGEMEEBUUPKLGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO/c15-11-5-3-6-12-14(11)17-13-7-2-1-4-10(13)8-9-16-12/h1-7,16H,8-9H2.
What are the key properties of 6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine?
6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine has a molecular weight of 245.71 g/mol, XLogP of 4.10, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-11,12-dihydro-10H-benzo[b][1,6]benzoxazocine is sourced from PubChem (CID 13409410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).