8-methoxy-6H-benzo[c][1]benzothiepin-11-one

C15H12O2S — CID 125471407

IUPAC8-methoxy-6H-benzo[c][1]benzothiepin-11-one
SMILESCOc1ccc2c(c1)CSc1ccccc1C2=O
InChIInChI=1S/C15H12O2S/c1-17-11-6-7-12-10(8-11)9-18-14-5-3-2-4-13(14)15(12)16/h2-8H,9H2,1H3
InChIKeyLWOSETYPLLFAAP-UHFFFAOYSA-N
MW256.33 g/mol
LogP3.53
Rot. Bonds1

About 8-methoxy-6H-benzo[c][1]benzothiepin-11-one

8-methoxy-6H-benzo[c][1]benzothiepin-11-one (PubChem CID 125471407) has the molecular formula C15H12O2S and a molecular weight of 256.33 g/mol. Its IUPAC name is 8-methoxy-6H-benzo[c][1]benzothiepin-11-one.

Molecular Properties

Compound Name8-methoxy-6H-benzo[c][1]benzothiepin-11-one
PubChem CID125471407
Molecular FormulaC15H12O2S
Molecular Weight256.33 g/mol
Exact Mass256.06
IUPAC Name8-methoxy-6H-benzo[c][1]benzothiepin-11-one
SMILESCOc1ccc2c(c1)CSc1ccccc1C2=O
InChIInChI=1S/C15H12O2S/c1-17-11-6-7-12-10(8-11)9-18-14-5-3-2-4-13(14)15(12)16/h2-8H,9H2,1H3
InChIKeyLWOSETYPLLFAAP-UHFFFAOYSA-N
XLogP3.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
copper bis(4-(8-methoxy-11-oxo-6H-benzo[c][1]benzothiepin-3-yl)-4-oxobutanoate)
CID 22755736
3-(2-methoxyethenyl)-6H-benzo[c][1]benzothiepin-11-one
CID 70627907
ethane;5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 90841573
9-bromo-6-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-2-one
CID 10032005
2-[2-(dimethylamino)ethoxy]-6H-benzo[c][1]benzothiepin-11-one
CID 1201730
14-methoxy-9-thiatricyclo[9.5.0.03,8]hexadeca-1(11),3,5,7,12,14-hexaen-2-one
CID 126604517
2-methoxy-6H-benzo[b][1]benzothiepin-5-one
CID 13154001
6-methoxy-1-benzothiophene-2,3-dione
CID 3440848
N-(4-methoxyphenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 6623288
7-methoxy-10H-phenanthren-9-one
CID 135042116
(2S)-2-(11-oxo-6H-benzo[c][1]benzothiepin-3-yl)propanoyl chloride
CID 129410100

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-6H-benzo[c][1]benzothiepin-11-one?
The IUPAC name of 8-methoxy-6H-benzo[c][1]benzothiepin-11-one (CID 125471407) is 8-methoxy-6H-benzo[c][1]benzothiepin-11-one.
What is the SMILES notation for 8-methoxy-6H-benzo[c][1]benzothiepin-11-one?
The canonical SMILES for 8-methoxy-6H-benzo[c][1]benzothiepin-11-one is COc1ccc2c(c1)CSc1ccccc1C2=O.
What is the InChIKey of 8-methoxy-6H-benzo[c][1]benzothiepin-11-one?
The InChIKey is LWOSETYPLLFAAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2S/c1-17-11-6-7-12-10(8-11)9-18-14-5-3-2-4-13(14)15(12)16/h2-8H,9H2,1H3.
What are the key properties of 8-methoxy-6H-benzo[c][1]benzothiepin-11-one?
8-methoxy-6H-benzo[c][1]benzothiepin-11-one has a molecular weight of 256.33 g/mol, XLogP of 3.53, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-6H-benzo[c][1]benzothiepin-11-one is sourced from PubChem (CID 125471407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).