5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene

C23H20O2 — CID 153469877

IUPAC5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene
SMILESCOc1ccc(COc2ccc3c(c2)C=C(c2ccccc2)C3)cc1
InChIInChI=1S/C23H20O2/c1-24-22-10-7-17(8-11-22)16-25-23-12-9-19-13-20(14-21(19)15-23)18-5-3-2-4-6-18/h2-12,14-15H,13,16H2,1H3
InChIKeyJYBAHLOTDQRZCQ-UHFFFAOYSA-N
MW328.41 g/mol
LogP5.37
Rot. Bonds5

About 5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene

5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene (PubChem CID 153469877) has the molecular formula C23H20O2 and a molecular weight of 328.41 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene
PubChem CID153469877
Molecular FormulaC23H20O2
Molecular Weight328.41 g/mol
Exact Mass328.15
IUPAC Name5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene
SMILESCOc1ccc(COc2ccc3c(c2)C=C(c2ccccc2)C3)cc1
InChIInChI=1S/C23H20O2/c1-24-22-10-7-17(8-11-22)16-25-23-12-9-19-13-20(14-21(19)15-23)18-5-3-2-4-6-18/h2-12,14-15H,13,16H2,1H3
InChIKeyJYBAHLOTDQRZCQ-UHFFFAOYSA-N
XLogP5.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.41
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene?
The IUPAC name of 5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene (CID 153469877) is 5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene.
What is the SMILES notation for 5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene?
The canonical SMILES for 5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene is COc1ccc(COc2ccc3c(c2)C=C(c2ccccc2)C3)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene?
The InChIKey is JYBAHLOTDQRZCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20O2/c1-24-22-10-7-17(8-11-22)16-25-23-12-9-19-13-20(14-21(19)15-23)18-5-3-2-4-6-18/h2-12,14-15H,13,16H2,1H3.
What are the key properties of 5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene?
5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene has a molecular weight of 328.41 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methoxy]-2-phenyl-1H-indene is sourced from PubChem (CID 153469877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).