2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid

C24H17FO2 — CID 25034413

IUPAC2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid
SMILESO=C(O)CC1=C/C(=C\c2ccc(-c3ccccc3)cc2)c2ccc(F)cc21
InChIInChI=1S/C24H17FO2/c25-21-10-11-22-19(13-20(14-24(26)27)23(22)15-21)12-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,15H,14H2,(H,26,27)/b19-12+
InChIKeyVJDZAFANKNWYHT-XDHOZWIPSA-N
MW356.40 g/mol
LogP5.91
Rot. Bonds4

About 2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid

2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid (PubChem CID 25034413) has the molecular formula C24H17FO2 and a molecular weight of 356.40 g/mol. Its IUPAC name is 2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid
PubChem CID25034413
Molecular FormulaC24H17FO2
Molecular Weight356.40 g/mol
Exact Mass356.12
IUPAC Name2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid
SMILESO=C(O)CC1=C/C(=C\c2ccc(-c3ccccc3)cc2)c2ccc(F)cc21
InChIInChI=1S/C24H17FO2/c25-21-10-11-22-19(13-20(14-24(26)27)23(22)15-21)12-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,15H,14H2,(H,26,27)/b19-12+
InChIKeyVJDZAFANKNWYHT-XDHOZWIPSA-N
XLogP5.91
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.40
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid?
The IUPAC name of 2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid (CID 25034413) is 2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid.
What is the SMILES notation for 2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid?
The canonical SMILES for 2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid is O=C(O)CC1=C/C(=C\c2ccc(-c3ccccc3)cc2)c2ccc(F)cc21.
What is the InChIKey of 2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid?
The InChIKey is VJDZAFANKNWYHT-XDHOZWIPSA-N. The full InChI is InChI=1S/C24H17FO2/c25-21-10-11-22-19(13-20(14-24(26)27)23(22)15-21)12-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-13,15H,14H2,(H,26,27)/b19-12+.
What are the key properties of 2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid?
2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid has a molecular weight of 356.40 g/mol, XLogP of 5.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E)-6-fluoro-3-[(4-phenylphenyl)methylidene]inden-1-yl]acetic acid is sourced from PubChem (CID 25034413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).