7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole

C19H18N2O2 — CID 44726121

IUPAC7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole
SMILESCOc1cc2c(cc1OC)-c1c(cnn1-c1ccccc1)CC2
InChIInChI=1S/C19H18N2O2/c1-22-17-10-13-8-9-14-12-20-21(15-6-4-3-5-7-15)19(14)16(13)11-18(17)23-2/h3-7,10-12H,8-9H2,1-2H3
InChIKeyBYBNDOJKFZTOSK-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.66
Rot. Bonds3

About 7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole

7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole (PubChem CID 44726121) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Name7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole
PubChem CID44726121
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole
SMILESCOc1cc2c(cc1OC)-c1c(cnn1-c1ccccc1)CC2
InChIInChI=1S/C19H18N2O2/c1-22-17-10-13-8-9-14-12-20-21(15-6-4-3-5-7-15)19(14)16(13)11-18(17)23-2/h3-7,10-12H,8-9H2,1-2H3
InChIKeyBYBNDOJKFZTOSK-UHFFFAOYSA-N
XLogP3.66
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-Methoxy-2-methyl-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazole
CID 141477188
(3-(2,3-Dihydro-1,4-benzodioxin-6-YL)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 2060907
3-(3,4-dimethoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6898261
2-[7-Methoxy-1-(3,4,5-trimethoxyphenyl)-4,5-dihydrobenzo[e]indazol-2-yl]ethanol
CID 141477179
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazole-4-carbonitrile
CID 977088
3-(1,3-benzodioxol-5-yl)-1-(2-methylbenzyl)-1H-pyrazole
CID 1481697
[[3-(3,4-Dimethoxyphenyl)-1-phenyl-4-pyrazolyl]methylideneamino]thiourea
CID 6902564
(NE)-N-[[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenylpyrazol-4-yl]methylidene]hydroxylamine
CID 6905154
1-{[3-(1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-2-(methoxymethyl)piperidine
CID 16189818
1-{[3-(1,3-benzodioxol-5-yl)-1-phenyl-1H-pyrazol-4-yl]methyl}-2-(2-methoxyethyl)piperidine
CID 16191097
7-(3,4-Dimethoxy-5-methylselanylphenyl)-2-(4-methylphenyl)pyrazolo[1,5-a]pyrazine
CID 164610819
3-(1,3-benzodioxol-5-yl)-1-phenyl-4-(1-pyrrolidinylmethyl)-1H-pyrazole
CID 16190089

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole?
The IUPAC name of 7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole (CID 44726121) is 7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for 7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for 7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole is COc1cc2c(cc1OC)-c1c(cnn1-c1ccccc1)CC2.
What is the InChIKey of 7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole?
The InChIKey is BYBNDOJKFZTOSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-22-17-10-13-8-9-14-12-20-21(15-6-4-3-5-7-15)19(14)16(13)11-18(17)23-2/h3-7,10-12H,8-9H2,1-2H3.
What are the key properties of 7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole?
7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole has a molecular weight of 306.37 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethoxy-1-phenyl-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 44726121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).