10-methylanthracene-1,9-dicarboxylic acid

C17H12O4 — CID 10707846

IUPAC10-methylanthracene-1,9-dicarboxylic acid
SMILESCc1c2ccccc2c(C(=O)O)c2c(C(=O)O)cccc12
InChIInChI=1S/C17H12O4/c1-9-10-5-2-3-6-12(10)15(17(20)21)14-11(9)7-4-8-13(14)16(18)19/h2-8H,1H3,(H,18,19)(H,20,21)
InChIKeyQJSBHJHVSKZXNT-UHFFFAOYSA-N
MW280.28 g/mol
LogP3.70
Rot. Bonds2

About 10-methylanthracene-1,9-dicarboxylic acid

10-methylanthracene-1,9-dicarboxylic acid (PubChem CID 10707846) has the molecular formula C17H12O4 and a molecular weight of 280.28 g/mol. Its IUPAC name is 10-methylanthracene-1,9-dicarboxylic acid.

Molecular Properties

Compound Name10-methylanthracene-1,9-dicarboxylic acid
PubChem CID10707846
Molecular FormulaC17H12O4
Molecular Weight280.28 g/mol
Exact Mass280.07
IUPAC Name10-methylanthracene-1,9-dicarboxylic acid
SMILESCc1c2ccccc2c(C(=O)O)c2c(C(=O)O)cccc12
InChIInChI=1S/C17H12O4/c1-9-10-5-2-3-6-12(10)15(17(20)21)14-11(9)7-4-8-13(14)16(18)19/h2-8H,1H3,(H,18,19)(H,20,21)
InChIKeyQJSBHJHVSKZXNT-UHFFFAOYSA-N
XLogP3.70
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

naphthalene-1,2,4,8-tetracarboxylic acid
CID 21270256
2,3,4-trimethylnaphthalene-1-carboxylic acid
CID 14435026
anthracene-1,9-dicarboxylic acid
CID 13155838
ethanol;5,6,7,8-tetramethylnaphthalene-1-carboxylic acid
CID 174362304
carbonic acid;2-methylbenzene-1,3-dicarboxylic acid
CID 174390462
4-[2-(4-carboxy-2,3-dimethylbenzoyl)benzoyl]-2,3-dimethylbenzoic acid
CID 141342382
cerium;tris(naphthalene-1,5-dicarboxylic acid)
CID 162353954
5-chloro-8-methylnaphthalene-1-carboxylic acid
CID 121008568
2-methylbenzene-1,3-dicarboxylic acid;1-naphthalen-1-ylethanone
CID 174493325
3-(3-carboxy-2-methylphenyl)-2-methylbenzoic acid
CID 22140374
2,4-dimethylnaphthalene-1-carboxylic acid
CID 100912182
5,8-dihydroxynaphthalene-1-carboxylic acid
CID 68625233

Frequently Asked Questions

What is the IUPAC name of 10-methylanthracene-1,9-dicarboxylic acid?
The IUPAC name of 10-methylanthracene-1,9-dicarboxylic acid (CID 10707846) is 10-methylanthracene-1,9-dicarboxylic acid.
What is the SMILES notation for 10-methylanthracene-1,9-dicarboxylic acid?
The canonical SMILES for 10-methylanthracene-1,9-dicarboxylic acid is Cc1c2ccccc2c(C(=O)O)c2c(C(=O)O)cccc12.
What is the InChIKey of 10-methylanthracene-1,9-dicarboxylic acid?
The InChIKey is QJSBHJHVSKZXNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12O4/c1-9-10-5-2-3-6-12(10)15(17(20)21)14-11(9)7-4-8-13(14)16(18)19/h2-8H,1H3,(H,18,19)(H,20,21).
What are the key properties of 10-methylanthracene-1,9-dicarboxylic acid?
10-methylanthracene-1,9-dicarboxylic acid has a molecular weight of 280.28 g/mol, XLogP of 3.70, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylanthracene-1,9-dicarboxylic acid is sourced from PubChem (CID 10707846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).