4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol

C24H23NO2 — CID 118735377

IUPAC4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol
SMILESNCCOc1ccc(/C(=C2\CCc3ccccc32)c2ccc(O)cc2)cc1
InChIInChI=1S/C24H23NO2/c25-15-16-27-21-12-7-19(8-13-21)24(18-5-10-20(26)11-6-18)23-14-9-17-3-1-2-4-22(17)23/h1-8,10-13,26H,9,14-16,25H2/b24-23+
InChIKeyBPDCIVIJDYKPRW-WCWDXBQESA-N
MW357.45 g/mol
LogP4.64
Rot. Bonds5

About 4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol

4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol (PubChem CID 118735377) has the molecular formula C24H23NO2 and a molecular weight of 357.45 g/mol. Its IUPAC name is 4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol.

Molecular Properties

Compound Name4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol
PubChem CID118735377
Molecular FormulaC24H23NO2
Molecular Weight357.45 g/mol
Exact Mass357.17
IUPAC Name4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol
SMILESNCCOc1ccc(/C(=C2\CCc3ccccc32)c2ccc(O)cc2)cc1
InChIInChI=1S/C24H23NO2/c25-15-16-27-21-12-7-19(8-13-21)24(18-5-10-20(26)11-6-18)23-14-9-17-3-1-2-4-22(17)23/h1-8,10-13,26H,9,14-16,25H2/b24-23+
InChIKeyBPDCIVIJDYKPRW-WCWDXBQESA-N
XLogP4.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 54.64
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-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol?
The IUPAC name of 4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol (CID 118735377) is 4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol.
What is the SMILES notation for 4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol?
The canonical SMILES for 4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol is NCCOc1ccc(/C(=C2\CCc3ccccc32)c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol?
The InChIKey is BPDCIVIJDYKPRW-WCWDXBQESA-N. The full InChI is InChI=1S/C24H23NO2/c25-15-16-27-21-12-7-19(8-13-21)24(18-5-10-20(26)11-6-18)23-14-9-17-3-1-2-4-22(17)23/h1-8,10-13,26H,9,14-16,25H2/b24-23+.
What are the key properties of 4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol?
4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol has a molecular weight of 357.45 g/mol, XLogP of 4.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-[4-(2-aminoethoxy)phenyl]-(2,3-dihydroinden-1-ylidene)methyl]phenol is sourced from PubChem (CID 118735377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).