1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole

C14H16N2O — CID 102417952

IUPAC1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole
SMILESCCOCn1ncc2c1-c1ccccc1CC2
InChIInChI=1S/C14H16N2O/c1-2-17-10-16-14-12(9-15-16)8-7-11-5-3-4-6-13(11)14/h3-6,9H,2,7-8,10H2,1H3
InChIKeyCFFLTEACXINVHO-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.64
Rot. Bonds3

About 1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole

1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole (PubChem CID 102417952) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is 1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole.

Molecular Properties

Compound Name1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole
PubChem CID102417952
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole
SMILESCCOCn1ncc2c1-c1ccccc1CC2
InChIInChI=1S/C14H16N2O/c1-2-17-10-16-14-12(9-15-16)8-7-11-5-3-4-6-13(11)14/h3-6,9H,2,7-8,10H2,1H3
InChIKeyCFFLTEACXINVHO-UHFFFAOYSA-N
XLogP2.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Methyl-4-[2-(4-phenylpiperidin-1-yl)ethyl]-4,5,6,7-tetrahydroindazole
CID 11573361
2-(Ethoxymethyl)-3-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g]indazole
CID 134942362
N-{[3-(4-cyclohexylphenyl)-1-methyl-1H-pyrazol-4-yl]methyl}-N-ethyl-2-methoxyethanamine
CID 70745264
1-Methylbenzo[g]indazole
CID 21609291
Trimethyl-[2-[[5-phenyl-4-[2-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 135065630
Trimethyl-[2-[[4-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]methoxy]ethyl]silane
CID 135072332
N-methyl-N-[(2-methylpyrazol-3-yl)methyl]-1,2,3,4-tetrahydronaphthalen-1-amine
CID 134792249
4,5-Dihydro-2-methyl-3-phenyl-2h-benz[g]indazole
CID 15263230
Tert-butyl 4,5-dihydrobenzo[g]indazole-2-carboxylate
CID 102417939
1-Benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole
CID 102417947
2-Benzyl-3-prop-2-enyl-4,5-dihydrobenzo[g]indazole
CID 102417951
(1-Benzyl-4,5-dihydrobenzo[g]indazol-3-yl)-triethylsilane
CID 134834342

Frequently Asked Questions

What is the IUPAC name of 1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole?
The IUPAC name of 1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole (CID 102417952) is 1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole.
What is the SMILES notation for 1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole?
The canonical SMILES for 1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole is CCOCn1ncc2c1-c1ccccc1CC2.
What is the InChIKey of 1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole?
The InChIKey is CFFLTEACXINVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-2-17-10-16-14-12(9-15-16)8-7-11-5-3-4-6-13(11)14/h3-6,9H,2,7-8,10H2,1H3.
What are the key properties of 1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole?
1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole has a molecular weight of 228.29 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethoxymethyl)-4,5-dihydrobenzo[g]indazole is sourced from PubChem (CID 102417952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).