2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid

C26H20O2 — CID 67379456

IUPAC2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid
SMILESCc1cc(C=Cc2ccc3cc(-c4ccccc4)ccc3c2)ccc1C(=O)O
InChIInChI=1S/C26H20O2/c1-18-15-19(10-14-25(18)26(27)28)7-8-20-9-11-24-17-23(13-12-22(24)16-20)21-5-3-2-4-6-21/h2-17H,1H3,(H,27,28)
InChIKeyNKUVDLVVDUXLMG-UHFFFAOYSA-N
MW364.44 g/mol
LogP6.68
Rot. Bonds4

About 2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid

2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid (PubChem CID 67379456) has the molecular formula C26H20O2 and a molecular weight of 364.44 g/mol. Its IUPAC name is 2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid.

Molecular Properties

Compound Name2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid
PubChem CID67379456
Molecular FormulaC26H20O2
Molecular Weight364.44 g/mol
Exact Mass364.15
IUPAC Name2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid
SMILESCc1cc(C=Cc2ccc3cc(-c4ccccc4)ccc3c2)ccc1C(=O)O
InChIInChI=1S/C26H20O2/c1-18-15-19(10-14-25(18)26(27)28)7-8-20-9-11-24-17-23(13-12-22(24)16-20)21-5-3-2-4-6-21/h2-17H,1H3,(H,27,28)
InChIKeyNKUVDLVVDUXLMG-UHFFFAOYSA-N
XLogP6.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.44
LogP ≤ 56.68
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-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid?
The IUPAC name of 2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid (CID 67379456) is 2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid.
What is the SMILES notation for 2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid?
The canonical SMILES for 2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid is Cc1cc(C=Cc2ccc3cc(-c4ccccc4)ccc3c2)ccc1C(=O)O.
What is the InChIKey of 2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid?
The InChIKey is NKUVDLVVDUXLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20O2/c1-18-15-19(10-14-25(18)26(27)28)7-8-20-9-11-24-17-23(13-12-22(24)16-20)21-5-3-2-4-6-21/h2-17H,1H3,(H,27,28).
What are the key properties of 2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid?
2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid has a molecular weight of 364.44 g/mol, XLogP of 6.68, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-(6-phenylnaphthalen-2-yl)ethenyl]benzoic acid is sourced from PubChem (CID 67379456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).