5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole

C24H22N2O — CID 141327801

IUPAC5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole
SMILESCC/C(=C(/c1ccccc1)c1ccc2[nH]ncc2c1)c1ccccc1OC
InChIInChI=1S/C24H22N2O/c1-3-20(21-11-7-8-12-23(21)27-2)24(17-9-5-4-6-10-17)18-13-14-22-19(15-18)16-25-26-22/h4-16H,3H2,1-2H3,(H,25,26)/b24-20+
InChIKeyFTCHQXXUCAZCLN-HIXSDJFHSA-N
MW354.45 g/mol
LogP5.94
Rot. Bonds5

About 5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole

5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole (PubChem CID 141327801) has the molecular formula C24H22N2O and a molecular weight of 354.45 g/mol. Its IUPAC name is 5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole.

Molecular Properties

Compound Name5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole
PubChem CID141327801
Molecular FormulaC24H22N2O
Molecular Weight354.45 g/mol
Exact Mass354.17
IUPAC Name5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole
SMILESCC/C(=C(/c1ccccc1)c1ccc2[nH]ncc2c1)c1ccccc1OC
InChIInChI=1S/C24H22N2O/c1-3-20(21-11-7-8-12-23(21)27-2)24(17-9-5-4-6-10-17)18-13-14-22-19(15-18)16-25-26-22/h4-16H,3H2,1-2H3,(H,25,26)/b24-20+
InChIKeyFTCHQXXUCAZCLN-HIXSDJFHSA-N
XLogP5.94
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

5-[(Z)-1-(3-methoxyphenyl)-2-phenylbut-1-enyl]-1H-indazole
CID 141327784
3-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 66793317
3-[4-[(Z)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoic acid
CID 66793318
[2-[(E)-1-(1H-indazol-5-yl)-2-(4-methylphenyl)but-1-enyl]phenyl] prop-2-enoate
CID 174686933
ethyl (E)-3-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]prop-2-enoate
CID 66794771
3-[4-[(E)-1-(1H-indazol-5-yl)-2-(4-methoxyphenyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66793245
(E)-3-[4-[(E)-1-(1H-indazol-5-yl)-2-(4-methoxy-2-methylphenyl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66793197
3-[4-[(Z)-2-(2-fluoro-4-methoxyphenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66799658
(E)-2-[4-[1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenyl]ethenesulfonamide
CID 123870308
3-[4-[2-(2,4-difluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid
CID 66793233
(E)-8-[4-[(E)-1-(1H-indazol-5-yl)-2-phenylbut-1-enyl]phenoxy]oct-3-en-2-one
CID 158067412
2-[2-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indazol-5-yl)but-1-enyl]phenyl]prop-2-enoic acid;hydrochloride
CID 66801073

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole?
The IUPAC name of 5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole (CID 141327801) is 5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole.
What is the SMILES notation for 5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole?
The canonical SMILES for 5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole is CC/C(=C(/c1ccccc1)c1ccc2[nH]ncc2c1)c1ccccc1OC.
What is the InChIKey of 5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole?
The InChIKey is FTCHQXXUCAZCLN-HIXSDJFHSA-N. The full InChI is InChI=1S/C24H22N2O/c1-3-20(21-11-7-8-12-23(21)27-2)24(17-9-5-4-6-10-17)18-13-14-22-19(15-18)16-25-26-22/h4-16H,3H2,1-2H3,(H,25,26)/b24-20+.
What are the key properties of 5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole?
5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole has a molecular weight of 354.45 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-(2-methoxyphenyl)-1-phenylbut-1-enyl]-1H-indazole is sourced from PubChem (CID 141327801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).