9,10-dihydroanthracene-1,5-dicarboxylic acid

C16H12O4 — CID 69239993

IUPAC9,10-dihydroanthracene-1,5-dicarboxylic acid
SMILESO=C(O)c1cccc2c1Cc1cccc(C(=O)O)c1C2
InChIInChI=1S/C16H12O4/c17-15(18)11-5-1-3-9-7-14-10(8-13(9)11)4-2-6-12(14)16(19)20/h1-6H,7-8H2,(H,17,18)(H,19,20)
InChIKeyPYBDRCYPYPPEEC-UHFFFAOYSA-N
MW268.27 g/mol
LogP2.58
Rot. Bonds2

About 9,10-dihydroanthracene-1,5-dicarboxylic acid

9,10-dihydroanthracene-1,5-dicarboxylic acid (PubChem CID 69239993) has the molecular formula C16H12O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 9,10-dihydroanthracene-1,5-dicarboxylic acid.

Molecular Properties

Compound Name9,10-dihydroanthracene-1,5-dicarboxylic acid
PubChem CID69239993
Molecular FormulaC16H12O4
Molecular Weight268.27 g/mol
Exact Mass268.07
IUPAC Name9,10-dihydroanthracene-1,5-dicarboxylic acid
SMILESO=C(O)c1cccc2c1Cc1cccc(C(=O)O)c1C2
InChIInChI=1S/C16H12O4/c17-15(18)11-5-1-3-9-7-14-10(8-13(9)11)4-2-6-12(14)16(19)20/h1-6H,7-8H2,(H,17,18)(H,19,20)
InChIKeyPYBDRCYPYPPEEC-UHFFFAOYSA-N
XLogP2.58
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

9,10-dihydroanthracene-1-carboxylic acid
CID 22643690
sodium;9H-xanthene-1-carboxylic acid;hydroxide
CID 67636026
9H-fluorene-1-carboxylic acid;9H-fluorene-2,7-dicarboxylic acid
CID 158991215
(3S)-3-methyl-1,2,3,4-tetrahydroisoquinoline-8-carboxylic acid
CID 130904182
tricyclo[9.4.0.02,7]pentadeca-1(15),2(7),3,5,11,13-hexaene-6-carboxylic acid
CID 13281341
2-(3-amino-9H-fluoren-1-yl)benzoic acid
CID 151110814
2-(2-aminoethyl)-1,3-dihydroisoindole-4-carboxylic acid
CID 164660426
2-(9H-xanthen-1-yloxy)benzoic acid
CID 175118326
2-methyl-2,3-dihydro-1H-indole-4-carboxylic acid
CID 117202955
3-methyl-2,3-dihydro-1H-isoindole-4-carboxylic acid
CID 130040150
1-methyl-2-oxo-3H-indole-7-carboxylic acid
CID 46941532
(3S)-3-methyl-2,3-dihydro-1H-isoindole-4-carboxylic acid
CID 130650466

Frequently Asked Questions

What is the IUPAC name of 9,10-dihydroanthracene-1,5-dicarboxylic acid?
The IUPAC name of 9,10-dihydroanthracene-1,5-dicarboxylic acid (CID 69239993) is 9,10-dihydroanthracene-1,5-dicarboxylic acid.
What is the SMILES notation for 9,10-dihydroanthracene-1,5-dicarboxylic acid?
The canonical SMILES for 9,10-dihydroanthracene-1,5-dicarboxylic acid is O=C(O)c1cccc2c1Cc1cccc(C(=O)O)c1C2.
What is the InChIKey of 9,10-dihydroanthracene-1,5-dicarboxylic acid?
The InChIKey is PYBDRCYPYPPEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12O4/c17-15(18)11-5-1-3-9-7-14-10(8-13(9)11)4-2-6-12(14)16(19)20/h1-6H,7-8H2,(H,17,18)(H,19,20).
What are the key properties of 9,10-dihydroanthracene-1,5-dicarboxylic acid?
9,10-dihydroanthracene-1,5-dicarboxylic acid has a molecular weight of 268.27 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-dihydroanthracene-1,5-dicarboxylic acid is sourced from PubChem (CID 69239993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).