9,10-dihydroanthracene-1-carboxylic acid

C15H12O2 — CID 22643690

IUPAC9,10-dihydroanthracene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Cc1ccccc1C2
InChIInChI=1S/C15H12O2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-7H,8-9H2,(H,16,17)
InChIKeyVBIJNTQVNNLYQT-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.88
Rot. Bonds1

About 9,10-dihydroanthracene-1-carboxylic acid

9,10-dihydroanthracene-1-carboxylic acid (PubChem CID 22643690) has the molecular formula C15H12O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 9,10-dihydroanthracene-1-carboxylic acid.

Molecular Properties

Compound Name9,10-dihydroanthracene-1-carboxylic acid
PubChem CID22643690
Molecular FormulaC15H12O2
Molecular Weight224.26 g/mol
Exact Mass224.08
IUPAC Name9,10-dihydroanthracene-1-carboxylic acid
SMILESO=C(O)c1cccc2c1Cc1ccccc1C2
InChIInChI=1S/C15H12O2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-7H,8-9H2,(H,16,17)
InChIKeyVBIJNTQVNNLYQT-UHFFFAOYSA-N
XLogP2.88
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

9,10-dihydroanthracene-1,5-dicarboxylic acid
CID 69239993
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
sodium;9H-xanthene-1-carboxylic acid;hydroxide
CID 67636026
tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
CID 13281341
5,8,13,14-tetrahydropentaphene
CID 161368209
bicyclo[8.1.0]undeca-1,3,5,7,9-pentaene
CID 91124939
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 130904182
phthalic acid;hydrobromide
CID 71236392
hydron;phthalic acid
CID 67386665
CID 66717184
CID 66717184
2-(3-amino-9H-fluoren-1-yl)benzoic acid
CID 151110814
2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid
CID 164660426

Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroanthracene-1-carboxylic acid?
The IUPAC name of 9,10-dihydroanthracene-1-carboxylic acid (CID 22643690) is 9,10-dihydroanthracene-1-carboxylic acid.
What is the SMILES notation for 9,10-dihydroanthracene-1-carboxylic acid?
The canonical SMILES for 9,10-dihydroanthracene-1-carboxylic acid is O=C(O)c1cccc2c1Cc1ccccc1C2.
What is the InChIKey of 9,10-dihydroanthracene-1-carboxylic acid?
The InChIKey is VBIJNTQVNNLYQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O2/c16-15(17)13-7-3-6-12-8-10-4-1-2-5-11(10)9-14(12)13/h1-7H,8-9H2,(H,16,17).
What are the key properties of 9,10-dihydroanthracene-1-carboxylic acid?
9,10-dihydroanthracene-1-carboxylic acid has a molecular weight of 224.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroanthracene-1-carboxylic acid is sourced from PubChem (CID 22643690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).