2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole

C19H18N2O — CID 150946226

IUPAC2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole
SMILESCOc1ccc(Cn2cc3c(n2)CCc2ccccc2-3)cc1
InChIInChI=1S/C19H18N2O/c1-22-16-9-6-14(7-10-16)12-21-13-18-17-5-3-2-4-15(17)8-11-19(18)20-21/h2-7,9-10,13H,8,11-12H2,1H3
InChIKeyLJCNUBOFMXTUHT-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.71
Rot. Bonds3

About 2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole

2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole (PubChem CID 150946226) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole
PubChem CID150946226
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole
SMILESCOc1ccc(Cn2cc3c(n2)CCc2ccccc2-3)cc1
InChIInChI=1S/C19H18N2O/c1-22-16-9-6-14(7-10-16)12-21-13-18-17-5-3-2-4-15(17)8-11-19(18)20-21/h2-7,9-10,13H,8,11-12H2,1H3
InChIKeyLJCNUBOFMXTUHT-UHFFFAOYSA-N
XLogP3.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-1-[(4-methoxyphenyl)methyl]pyrazol-3-amine
CID 163384213
2-[(4-methoxyphenyl)methyl]-8,8-dimethyl-5,6-dihydrooxepino[3,4-c]pyrazol-4-one
CID 66667493
3-bromo-4-fluoro-1-[(4-methoxyphenyl)methyl]pyrazole
CID 118618664
2-[(4-methoxyphenyl)methyl]-8-(3-methoxypropyl)-6,7-dihydro-5H-pyrazolo[3,4-b]azepin-4-one
CID 66667563
(7S)-7-ethyl-12-[(4-methoxyphenyl)methyl]-6,7-dihydro-5H-benzo[c]acridine
CID 134959439
2-[(4-methoxyphenyl)methyl]benzotriazole
CID 3828598
2-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]isoindole-1,3-dione
CID 134941621
1-[(4-methoxyphenyl)methyl]-N,N-diphenyltriazol-4-amine
CID 177499742
1-benzyl-4-[(4-methoxyphenyl)methyl]-3-(trifluoromethyl)pyrazole
CID 68654467
3-iodo-1-[(4-methoxyphenyl)methyl]pyrazole
CID 122574019
[3-amino-1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]methanol
CID 174330913
4-[(2-bromophenyl)methyl]-3-ethyl-1-[(4-methoxyphenyl)methyl]pyrazole
CID 175634319

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole (CID 150946226) is 2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole is COc1ccc(Cn2cc3c(n2)CCc2ccccc2-3)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole?
The InChIKey is LJCNUBOFMXTUHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-22-16-9-6-14(7-10-16)12-21-13-18-17-5-3-2-4-15(17)8-11-19(18)20-21/h2-7,9-10,13H,8,11-12H2,1H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole?
2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole has a molecular weight of 290.37 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-4,5-dihydrobenzo[e]indazole is sourced from PubChem (CID 150946226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).