8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole

C20H20N2O2 — CID 59419877

IUPAC8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole
SMILESCOc1ccc(C2=NN=C3c4cc(OC)ccc4CCC23C)cc1
InChIInChI=1S/C20H20N2O2/c1-20-11-10-13-4-9-16(24-3)12-17(13)19(20)22-21-18(20)14-5-7-15(23-2)8-6-14/h4-9,12H,10-11H2,1-3H3
InChIKeyPAWMOIHJUGCBMO-UHFFFAOYSA-N
MW320.39 g/mol
LogP3.86
Rot. Bonds3

About 8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole

8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole (PubChem CID 59419877) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Name8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole
PubChem CID59419877
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole
SMILESCOc1ccc(C2=NN=C3c4cc(OC)ccc4CCC23C)cc1
InChIInChI=1S/C20H20N2O2/c1-20-11-10-13-4-9-16(24-3)12-17(13)19(20)22-21-18(20)14-5-7-15(23-2)8-6-14/h4-9,12H,10-11H2,1-3H3
InChIKeyPAWMOIHJUGCBMO-UHFFFAOYSA-N
XLogP3.86
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 13096425
(3Z)-5-methoxy-3-(6-methoxy-2,3-dihydroinden-1-ylidene)-1,2-dihydroindene
CID 125266195
7-methoxy-1-(4-methoxyphenyl)-3,4-dihydronaphthalene-2-carbaldehyde
CID 71817023
6-methoxy-3,3-dimethyl-1,2-dihydroindene
CID 22152285
3-fluoro-6-methoxy-3-methyl-1,2-dihydroindene
CID 84718386
2,7-bis(4-methoxyphenyl)-9H-fluorene
CID 67050058
9-methoxy-2-phenyl-5,6-dihydrobenzo[f]isoquinoline
CID 102237047
(3S)-5',6-dimethoxy-3'-(4-prop-2-enoxyphenyl)spiro[1,2-dihydroindene-3,1'-indene]
CID 11058675
5-(4-methoxyphenyl)-2,3-dihydro-1H-indene
CID 174495495
4-cyclopropylidene-6-methoxy-2,3-dihydro-1H-naphthalene
CID 67360409
ethane;6-methoxy-4,4-dimethyl-2,3-dihydro-1H-naphthalene
CID 143044836
2,7-bis(6-methoxynaphthalen-2-yl)-9,9-dimethylfluorene
CID 90394308

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole?
The IUPAC name of 8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole (CID 59419877) is 8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for 8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for 8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole is COc1ccc(C2=NN=C3c4cc(OC)ccc4CCC23C)cc1.
What is the InChIKey of 8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole?
The InChIKey is PAWMOIHJUGCBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-20-11-10-13-4-9-16(24-3)12-17(13)19(20)22-21-18(20)14-5-7-15(23-2)8-6-14/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole?
8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole has a molecular weight of 320.39 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-3-(4-methoxyphenyl)-3a-methyl-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 59419877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).