2-(9H-fluoren-9-yl)benzoic acid

C20H14O2 — CID 12794496

IUPAC2-(9H-fluoren-9-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H14O2/c21-20(22)18-12-6-5-11-17(18)19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)19/h1-12,19H,(H,21,22)
InChIKeyQLRHRLZEZWEOGF-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.55
Rot. Bonds2

About 2-(9H-fluoren-9-yl)benzoic acid

2-(9H-fluoren-9-yl)benzoic acid (PubChem CID 12794496) has the molecular formula C20H14O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 2-(9H-fluoren-9-yl)benzoic acid.

Molecular Properties

Compound Name2-(9H-fluoren-9-yl)benzoic acid
PubChem CID12794496
Molecular FormulaC20H14O2
Molecular Weight286.33 g/mol
Exact Mass286.10
IUPAC Name2-(9H-fluoren-9-yl)benzoic acid
SMILESO=C(O)c1ccccc1C1c2ccccc2-c2ccccc21
InChIInChI=1S/C20H14O2/c21-20(22)18-12-6-5-11-17(18)19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)19/h1-12,19H,(H,21,22)
InChIKeyQLRHRLZEZWEOGF-UHFFFAOYSA-N
XLogP4.55
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(3,5-dioxopyrazolidin-4-yl)benzoic acid
CID 82045448
2-(2-carboxyphenyl)benzoic acid;cobalt
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2-(2-carboxyphenyl)benzene-1,3-dicarboxylic acid
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9-benzyl-9H-fluorene-1-carboxylic acid
CID 67933343
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
phthalic acid;hydrobromide
CID 71236392
anthracene-9,10-dione;phthalic acid
CID 158904853
2-(dioxolan-4-yl)benzoic acid
CID 87618299
2-(2-fluorocyclopropyl)benzoic acid
CID 115015568
2-[(4R,5R)-5-(2-carboxyphenyl)dithian-4-yl]benzoic acid
CID 172826121
2-[3,6-bis(methylamino)-9H-xanthen-9-yl]benzoic acid
CID 90993350

Frequently Asked Questions

What is the IUPAC name of 2-(9H-fluoren-9-yl)benzoic acid?
The IUPAC name of 2-(9H-fluoren-9-yl)benzoic acid (CID 12794496) is 2-(9H-fluoren-9-yl)benzoic acid.
What is the SMILES notation for 2-(9H-fluoren-9-yl)benzoic acid?
The canonical SMILES for 2-(9H-fluoren-9-yl)benzoic acid is O=C(O)c1ccccc1C1c2ccccc2-c2ccccc21.
What is the InChIKey of 2-(9H-fluoren-9-yl)benzoic acid?
The InChIKey is QLRHRLZEZWEOGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2/c21-20(22)18-12-6-5-11-17(18)19-15-9-3-1-7-13(15)14-8-2-4-10-16(14)19/h1-12,19H,(H,21,22).
What are the key properties of 2-(9H-fluoren-9-yl)benzoic acid?
2-(9H-fluoren-9-yl)benzoic acid has a molecular weight of 286.33 g/mol, XLogP of 4.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(9H-fluoren-9-yl)benzoic acid is sourced from PubChem (CID 12794496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).