2-(fluoren-9-ylidenemethyl)benzoic acid

C21H14O2 — CID 3643267

IUPAC2-(fluoren-9-ylidenemethyl)benzoic acid
SMILESO=C(O)c1ccccc1C=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H14O2/c22-21(23)15-8-2-1-7-14(15)13-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h1-13H,(H,22,23)
InChIKeyKHAKIUANPMTDEA-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.95
Rot. Bonds2

About 2-(fluoren-9-ylidenemethyl)benzoic acid

2-(fluoren-9-ylidenemethyl)benzoic acid (PubChem CID 3643267) has the molecular formula C21H14O2 and a molecular weight of 298.34 g/mol. Its IUPAC name is 2-(fluoren-9-ylidenemethyl)benzoic acid.

Molecular Properties

Compound Name2-(fluoren-9-ylidenemethyl)benzoic acid
PubChem CID3643267
Molecular FormulaC21H14O2
Molecular Weight298.34 g/mol
Exact Mass298.10
IUPAC Name2-(fluoren-9-ylidenemethyl)benzoic acid
SMILESO=C(O)c1ccccc1C=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C21H14O2/c22-21(23)15-8-2-1-7-14(15)13-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h1-13H,(H,22,23)
InChIKeyKHAKIUANPMTDEA-UHFFFAOYSA-N
XLogP4.95
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-ethenylbenzoic acid;europium
CID 174925184
calcium;2-ethenylbenzoic acid;hydride
CID 174462542
benzoic acid;2-ethenylbenzoic acid
CID 158841861
2-[(E)-[(E)-(2-carboxyphenyl)methylidenehydrazinylidene]methyl]benzoic acid
CID 69303300
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
2-(piperidin-4-ylidenemethyl)benzoic acid
CID 167976622
2-[(E)-[(3Z)-3-[(2-carboxyphenyl)methylidene]-2-oxocyclohexylidene]methyl]benzoic acid
CID 46886214
2-[(3,5-ditert-butyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzoic acid
CID 23216116
2-[2-(2-phenylphenyl)phenyl]benzoic acid
CID 141238749
3-formyl-2-(2-formylphenyl)benzoic acid
CID 87124248
2-formylbenzoic acid;methoxymethane
CID 90858085
hydron;phthalic acid
CID 67386665

Frequently Asked Questions

What is the IUPAC name of 2-(fluoren-9-ylidenemethyl)benzoic acid?
The IUPAC name of 2-(fluoren-9-ylidenemethyl)benzoic acid (CID 3643267) is 2-(fluoren-9-ylidenemethyl)benzoic acid.
What is the SMILES notation for 2-(fluoren-9-ylidenemethyl)benzoic acid?
The canonical SMILES for 2-(fluoren-9-ylidenemethyl)benzoic acid is O=C(O)c1ccccc1C=C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(fluoren-9-ylidenemethyl)benzoic acid?
The InChIKey is KHAKIUANPMTDEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14O2/c22-21(23)15-8-2-1-7-14(15)13-20-18-11-5-3-9-16(18)17-10-4-6-12-19(17)20/h1-13H,(H,22,23).
What are the key properties of 2-(fluoren-9-ylidenemethyl)benzoic acid?
2-(fluoren-9-ylidenemethyl)benzoic acid has a molecular weight of 298.34 g/mol, XLogP of 4.95, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoren-9-ylidenemethyl)benzoic acid is sourced from PubChem (CID 3643267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).