1-[(4-methoxyphenyl)-phenylmethyl]indazole

C21H18N2O — CID 155933783

IUPAC1-[(4-methoxyphenyl)-phenylmethyl]indazole
SMILESCOc1ccc(C(c2ccccc2)n2ncc3ccccc32)cc1
InChIInChI=1S/C21H18N2O/c1-24-19-13-11-17(12-14-19)21(16-7-3-2-4-8-16)23-20-10-6-5-9-18(20)15-22-23/h2-15,21H,1H3
InChIKeyHWKJKEZJFGUACB-UHFFFAOYSA-N
MW314.39 g/mol
LogP4.68
Rot. Bonds4

About 1-[(4-methoxyphenyl)-phenylmethyl]indazole

1-[(4-methoxyphenyl)-phenylmethyl]indazole (PubChem CID 155933783) has the molecular formula C21H18N2O and a molecular weight of 314.39 g/mol. Its IUPAC name is 1-[(4-methoxyphenyl)-phenylmethyl]indazole.

Molecular Properties

Compound Name1-[(4-methoxyphenyl)-phenylmethyl]indazole
PubChem CID155933783
Molecular FormulaC21H18N2O
Molecular Weight314.39 g/mol
Exact Mass314.14
IUPAC Name1-[(4-methoxyphenyl)-phenylmethyl]indazole
SMILESCOc1ccc(C(c2ccccc2)n2ncc3ccccc32)cc1
InChIInChI=1S/C21H18N2O/c1-24-19-13-11-17(12-14-19)21(16-7-3-2-4-8-16)23-20-10-6-5-9-18(20)15-22-23/h2-15,21H,1H3
InChIKeyHWKJKEZJFGUACB-UHFFFAOYSA-N
XLogP4.68
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxyphenyl)-phenylmethyl]indazole?
The IUPAC name of 1-[(4-methoxyphenyl)-phenylmethyl]indazole (CID 155933783) is 1-[(4-methoxyphenyl)-phenylmethyl]indazole.
What is the SMILES notation for 1-[(4-methoxyphenyl)-phenylmethyl]indazole?
The canonical SMILES for 1-[(4-methoxyphenyl)-phenylmethyl]indazole is COc1ccc(C(c2ccccc2)n2ncc3ccccc32)cc1.
What is the InChIKey of 1-[(4-methoxyphenyl)-phenylmethyl]indazole?
The InChIKey is HWKJKEZJFGUACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O/c1-24-19-13-11-17(12-14-19)21(16-7-3-2-4-8-16)23-20-10-6-5-9-18(20)15-22-23/h2-15,21H,1H3.
What are the key properties of 1-[(4-methoxyphenyl)-phenylmethyl]indazole?
1-[(4-methoxyphenyl)-phenylmethyl]indazole has a molecular weight of 314.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxyphenyl)-phenylmethyl]indazole is sourced from PubChem (CID 155933783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).