fluoranthene-3,8-dicarboxylic acid

C18H10O4 — CID 12521258

IUPACfluoranthene-3,8-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)-c1cccc3c(C(=O)O)ccc-2c13
InChIInChI=1S/C18H10O4/c19-17(20)9-4-5-10-13-6-7-14(18(21)22)11-2-1-3-12(16(11)13)15(10)8-9/h1-8H,(H,19,20)(H,21,22)
InChIKeyVFHOVLJVNWZGSE-UHFFFAOYSA-N
MW290.27 g/mol
LogP3.88
Rot. Bonds2

About fluoranthene-3,8-dicarboxylic acid

fluoranthene-3,8-dicarboxylic acid (PubChem CID 12521258) has the molecular formula C18H10O4 and a molecular weight of 290.27 g/mol. Its IUPAC name is fluoranthene-3,8-dicarboxylic acid.

Molecular Properties

Compound Namefluoranthene-3,8-dicarboxylic acid
PubChem CID12521258
Molecular FormulaC18H10O4
Molecular Weight290.27 g/mol
Exact Mass290.06
IUPAC Namefluoranthene-3,8-dicarboxylic acid
SMILESO=C(O)c1ccc2c(c1)-c1cccc3c(C(=O)O)ccc-2c13
InChIInChI=1S/C18H10O4/c19-17(20)9-4-5-10-13-6-7-14(18(21)22)11-2-1-3-12(16(11)13)15(10)8-9/h1-8H,(H,19,20)(H,21,22)
InChIKeyVFHOVLJVNWZGSE-UHFFFAOYSA-N
XLogP3.88
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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2-(fluoranthene-8-carbonyl)benzoic acid
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2-[3-carboxy-2-(2,5-dicarboxyphenyl)phenyl]terephthalic acid
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Frequently Asked Questions

What is the IUPAC name of fluoranthene-3,8-dicarboxylic acid?
The IUPAC name of fluoranthene-3,8-dicarboxylic acid (CID 12521258) is fluoranthene-3,8-dicarboxylic acid.
What is the SMILES notation for fluoranthene-3,8-dicarboxylic acid?
The canonical SMILES for fluoranthene-3,8-dicarboxylic acid is O=C(O)c1ccc2c(c1)-c1cccc3c(C(=O)O)ccc-2c13.
What is the InChIKey of fluoranthene-3,8-dicarboxylic acid?
The InChIKey is VFHOVLJVNWZGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10O4/c19-17(20)9-4-5-10-13-6-7-14(18(21)22)11-2-1-3-12(16(11)13)15(10)8-9/h1-8H,(H,19,20)(H,21,22).
What are the key properties of fluoranthene-3,8-dicarboxylic acid?
fluoranthene-3,8-dicarboxylic acid has a molecular weight of 290.27 g/mol, XLogP of 3.88, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoranthene-3,8-dicarboxylic acid is sourced from PubChem (CID 12521258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).