4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol

C24H18N2O2 — CID 155807013

IUPAC4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol
SMILESCOc1cc(/C(=C2/C=Nc3ccccc32)c2c[nH]c3ccccc23)ccc1O
InChIInChI=1S/C24H18N2O2/c1-28-23-12-15(10-11-22(23)27)24(18-13-25-20-8-4-2-6-16(18)20)19-14-26-21-9-5-3-7-17(19)21/h2-14,25,27H,1H3/b24-19+
InChIKeyGXLIFXJAJKUVJD-LYBHJNIJSA-N
MW366.42 g/mol
LogP5.56
Rot. Bonds3

About 4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol

4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol (PubChem CID 155807013) has the molecular formula C24H18N2O2 and a molecular weight of 366.42 g/mol. Its IUPAC name is 4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol
PubChem CID155807013
Molecular FormulaC24H18N2O2
Molecular Weight366.42 g/mol
Exact Mass366.14
IUPAC Name4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol
SMILESCOc1cc(/C(=C2/C=Nc3ccccc32)c2c[nH]c3ccccc23)ccc1O
InChIInChI=1S/C24H18N2O2/c1-28-23-12-15(10-11-22(23)27)24(18-13-25-20-8-4-2-6-16(18)20)19-14-26-21-9-5-3-7-17(19)21/h2-14,25,27H,1H3/b24-19+
InChIKeyGXLIFXJAJKUVJD-LYBHJNIJSA-N
XLogP5.56
TPSA57.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.42
LogP ≤ 55.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol?
The IUPAC name of 4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol (CID 155807013) is 4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol is COc1cc(/C(=C2/C=Nc3ccccc32)c2c[nH]c3ccccc23)ccc1O.
What is the InChIKey of 4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol?
The InChIKey is GXLIFXJAJKUVJD-LYBHJNIJSA-N. The full InChI is InChI=1S/C24H18N2O2/c1-28-23-12-15(10-11-22(23)27)24(18-13-25-20-8-4-2-6-16(18)20)19-14-26-21-9-5-3-7-17(19)21/h2-14,25,27H,1H3/b24-19+.
What are the key properties of 4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol?
4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol has a molecular weight of 366.42 g/mol, XLogP of 5.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-1H-indol-3-yl(indol-3-ylidene)methyl]-2-methoxyphenol is sourced from PubChem (CID 155807013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).