8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one

C20H21NO2 — CID 134376167

IUPAC8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one
SMILESCOc1ccc2c(c1)C(C)(C)C1=C(C2=O)C2=CC=CCC2N1C
InChIInChI=1S/C20H21NO2/c1-20(2)15-11-12(23-4)9-10-13(15)18(22)17-14-7-5-6-8-16(14)21(3)19(17)20/h5-7,9-11,16H,8H2,1-4H3
InChIKeyZIHNWMRUQAHBAI-UHFFFAOYSA-N
MW307.39 g/mol
LogP3.62
Rot. Bonds1

About 8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one

8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one (PubChem CID 134376167) has the molecular formula C20H21NO2 and a molecular weight of 307.39 g/mol. Its IUPAC name is 8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one.

Molecular Properties

Compound Name8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one
PubChem CID134376167
Molecular FormulaC20H21NO2
Molecular Weight307.39 g/mol
Exact Mass307.16
IUPAC Name8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one
SMILESCOc1ccc2c(c1)C(C)(C)C1=C(C2=O)C2=CC=CCC2N1C
InChIInChI=1S/C20H21NO2/c1-20(2)15-11-12(23-4)9-10-13(15)18(22)17-14-7-5-6-8-16(14)21(3)19(17)20/h5-7,9-11,16H,8H2,1-4H3
InChIKeyZIHNWMRUQAHBAI-UHFFFAOYSA-N
XLogP3.62
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 134376241
8-methoxy-5,6,6-trimethylbenzo[b]carbazol-11-one
CID 66835268
2-bromo-6-methoxy-4,4-dimethyl-2,3-dihydronaphthalen-1-one
CID 44726409
6-methoxy-2-methylspiro[3H-isoquinoline-4,4'-cyclohexene]-1-one
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CID 149279161
4-(cyclohexylmethyl)-6-methoxy-2,4-dimethyl-3H-isoquinolin-1-one
CID 132596146
3,6-dimethoxy-10H-anthracen-9-one
CID 142018270
8-[(2R)-2,3-dihydroxypropoxy]-2-methoxy-10,10-dimethyl-11H-benzo[b]fluoren-5-one
CID 148501866
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3a-amino-2-cyclohexyl-7-methoxy-4,8b-dimethyl-1H-pyrrolo[3,4-b]indol-3-one
CID 51055665
5-methoxytricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,10,13-hexaen-2-one
CID 54197355
2-[3-[3,5-bis(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-5-(7-methoxy-9,9-dimethylfluoren-2-yl)phenyl]-7-methoxy-9,9-dimethylfluorene
CID 59858743

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one?
The IUPAC name of 8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one (CID 134376167) is 8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one.
What is the SMILES notation for 8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one?
The canonical SMILES for 8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one is COc1ccc2c(c1)C(C)(C)C1=C(C2=O)C2=CC=CCC2N1C.
What is the InChIKey of 8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one?
The InChIKey is ZIHNWMRUQAHBAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO2/c1-20(2)15-11-12(23-4)9-10-13(15)18(22)17-14-7-5-6-8-16(14)21(3)19(17)20/h5-7,9-11,16H,8H2,1-4H3.
What are the key properties of 8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one?
8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one has a molecular weight of 307.39 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-5,6,6-trimethyl-4,4a-dihydrobenzo[b]carbazol-11-one is sourced from PubChem (CID 134376167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).