naphthalene;phthalic acid

C26H20O8 — CID 158069637

IUPACnaphthalene;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.2C8H6O4/c1-2-6-10-8-4-3-7-9(10)5-1;2*9-7(10)5-3-1-2-4-6(5)8(11)12/h1-8H;2*1-4H,(H,9,10)(H,11,12)
InChIKeyFLRAOXCVIXMCSI-UHFFFAOYSA-N
MW460.44 g/mol
LogP5.01
Rot. Bonds4

About naphthalene;phthalic acid

naphthalene;phthalic acid (PubChem CID 158069637) has the molecular formula C26H20O8 and a molecular weight of 460.44 g/mol. Its IUPAC name is naphthalene;phthalic acid.

Molecular Properties

Compound Namenaphthalene;phthalic acid
PubChem CID158069637
Molecular FormulaC26H20O8
Molecular Weight460.44 g/mol
Exact Mass460.12
IUPAC Namenaphthalene;phthalic acid
SMILESO=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.c1ccc2ccccc2c1
InChIInChI=1S/C10H8.2C8H6O4/c1-2-6-10-8-4-3-7-9(10)5-1;2*9-7(10)5-3-1-2-4-6(5)8(11)12/h1-8H;2*1-4H,(H,9,10)(H,11,12)
InChIKeyFLRAOXCVIXMCSI-UHFFFAOYSA-N
XLogP5.01
TPSA149.20 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.44
LogP ≤ 55.01
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 174659618
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Frequently Asked Questions

What is the IUPAC name of naphthalene;phthalic acid?
The IUPAC name of naphthalene;phthalic acid (CID 158069637) is naphthalene;phthalic acid.
What is the SMILES notation for naphthalene;phthalic acid?
The canonical SMILES for naphthalene;phthalic acid is O=C(O)c1ccccc1C(=O)O.O=C(O)c1ccccc1C(=O)O.c1ccc2ccccc2c1.
What is the InChIKey of naphthalene;phthalic acid?
The InChIKey is FLRAOXCVIXMCSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C8H6O4/c1-2-6-10-8-4-3-7-9(10)5-1;2*9-7(10)5-3-1-2-4-6(5)8(11)12/h1-8H;2*1-4H,(H,9,10)(H,11,12).
What are the key properties of naphthalene;phthalic acid?
naphthalene;phthalic acid has a molecular weight of 460.44 g/mol, XLogP of 5.01, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene;phthalic acid is sourced from PubChem (CID 158069637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).