2-(3-amino-9H-fluoren-1-yl)benzoic acid

C20H15NO2 — CID 151110814

IUPAC2-(3-amino-9H-fluoren-1-yl)benzoic acid
SMILESNc1cc2c(c(-c3ccccc3C(=O)O)c1)Cc1ccccc1-2
InChIInChI=1S/C20H15NO2/c21-13-10-18-14-6-2-1-5-12(14)9-17(18)19(11-13)15-7-3-4-8-16(15)20(22)23/h1-8,10-11H,9,21H2,(H,22,23)
InChIKeyMQBWGYUEQCNJSS-UHFFFAOYSA-N
MW301.35 g/mol
LogP4.21
Rot. Bonds2

About 2-(3-amino-9H-fluoren-1-yl)benzoic acid

2-(3-amino-9H-fluoren-1-yl)benzoic acid (PubChem CID 151110814) has the molecular formula C20H15NO2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-(3-amino-9H-fluoren-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(3-amino-9H-fluoren-1-yl)benzoic acid
PubChem CID151110814
Molecular FormulaC20H15NO2
Molecular Weight301.35 g/mol
Exact Mass301.11
IUPAC Name2-(3-amino-9H-fluoren-1-yl)benzoic acid
SMILESNc1cc2c(c(-c3ccccc3C(=O)O)c1)Cc1ccccc1-2
InChIInChI=1S/C20H15NO2/c21-13-10-18-14-6-2-1-5-12(14)9-17(18)19(11-13)15-7-3-4-8-16(15)20(22)23/h1-8,10-11H,9,21H2,(H,22,23)
InChIKeyMQBWGYUEQCNJSS-UHFFFAOYSA-N
XLogP4.21
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminophenyl)-9H-fluorene-3-carboxylic acid
CID 172783159
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
2-(2-carboxyphenyl)benzoic acid;cobalt
CID 159898458
4-(9H-fluoren-1-yl)phthalic acid;molecular hydrogen
CID 175028589
9H-fluorene-1-carboxamide
CID 18474131
2,5-bis(2-carboxyphenyl)terephthalic acid
CID 15619214
2-[C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid
CID 54717349
2-[(Z)-C-(9H-fluoren-2-yl)-N-oxidocarbonimidoyl]benzoic acid
CID 54710511
9,10-dihydroanthracene-1,5-dicarboxylic acid
CID 69239993
9,10-dihydroanthracene-1-carboxylic acid
CID 22643690
1-prop-2-enyl-9H-fluorene-2,3-dicarboxylic acid
CID 139570537
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838

Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-9H-fluoren-1-yl)benzoic acid?
The IUPAC name of 2-(3-amino-9H-fluoren-1-yl)benzoic acid (CID 151110814) is 2-(3-amino-9H-fluoren-1-yl)benzoic acid.
What is the SMILES notation for 2-(3-amino-9H-fluoren-1-yl)benzoic acid?
The canonical SMILES for 2-(3-amino-9H-fluoren-1-yl)benzoic acid is Nc1cc2c(c(-c3ccccc3C(=O)O)c1)Cc1ccccc1-2.
What is the InChIKey of 2-(3-amino-9H-fluoren-1-yl)benzoic acid?
The InChIKey is MQBWGYUEQCNJSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15NO2/c21-13-10-18-14-6-2-1-5-12(14)9-17(18)19(11-13)15-7-3-4-8-16(15)20(22)23/h1-8,10-11H,9,21H2,(H,22,23).
What are the key properties of 2-(3-amino-9H-fluoren-1-yl)benzoic acid?
2-(3-amino-9H-fluoren-1-yl)benzoic acid has a molecular weight of 301.35 g/mol, XLogP of 4.21, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-9H-fluoren-1-yl)benzoic acid is sourced from PubChem (CID 151110814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).