4-hydroxybenzoic acid;2-hydroxyterephthalic acid

C15H12O8 — CID 174971569

IUPAC4-hydroxybenzoic acid;2-hydroxyterephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(O)c1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C8H6O5.C7H6O3/c9-6-3-4(7(10)11)1-2-5(6)8(12)13;8-6-3-1-5(2-4-6)7(9)10/h1-3,9H,(H,10,11)(H,12,13);1-4,8H,(H,9,10)
InChIKeyRAGGJEKHJKQJIX-UHFFFAOYSA-N
MW320.25 g/mol
LogP1.88
Rot. Bonds3

About 4-hydroxybenzoic acid;2-hydroxyterephthalic acid

4-hydroxybenzoic acid;2-hydroxyterephthalic acid (PubChem CID 174971569) has the molecular formula C15H12O8 and a molecular weight of 320.25 g/mol. Its IUPAC name is 4-hydroxybenzoic acid;2-hydroxyterephthalic acid.

Molecular Properties

Compound Name4-hydroxybenzoic acid;2-hydroxyterephthalic acid
PubChem CID174971569
Molecular FormulaC15H12O8
Molecular Weight320.25 g/mol
Exact Mass320.05
IUPAC Name4-hydroxybenzoic acid;2-hydroxyterephthalic acid
SMILESO=C(O)c1ccc(C(=O)O)c(O)c1.O=C(O)c1ccc(O)cc1
InChIInChI=1S/C8H6O5.C7H6O3/c9-6-3-4(7(10)11)1-2-5(6)8(12)13;8-6-3-1-5(2-4-6)7(9)10/h1-3,9H,(H,10,11)(H,12,13);1-4,8H,(H,9,10)
InChIKeyRAGGJEKHJKQJIX-UHFFFAOYSA-N
XLogP1.88
TPSA152.36 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.25
LogP ≤ 51.88
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

4-carbonochloridoyl-3-hydroxybenzoic acid
CID 21397011
2,4-dihydroxybenzoic acid
CID 1491
4-hydroxy(11C)benzoic acid
CID 11275035
4-hydroxybenzoic acid;silver
CID 88784168
4-hydroxybenzoic acid;decahydrate
CID 140502755
4-hydroxybenzoic acid;tetrahydrate
CID 158154319
4-[2-[4-[2-(4-carboxyphenyl)ethyl]phenyl]ethyl]-2-hydroxybenzoic acid
CID 171715325
sodium;4-hydroxybenzoic acid;hydroxide
CID 161288203
formaldehyde;4-hydroxybenzoic acid
CID 68624082
ethene;bis(4-hydroxybenzoic acid)
CID 158613514
4-hydroxybenzene-1,3-dicarboxylic acid
CID 161113247
4-(2-bromoacetyl)-3-hydroxybenzoic acid
CID 91882570

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzoic acid;2-hydroxyterephthalic acid?
The IUPAC name of 4-hydroxybenzoic acid;2-hydroxyterephthalic acid (CID 174971569) is 4-hydroxybenzoic acid;2-hydroxyterephthalic acid.
What is the SMILES notation for 4-hydroxybenzoic acid;2-hydroxyterephthalic acid?
The canonical SMILES for 4-hydroxybenzoic acid;2-hydroxyterephthalic acid is O=C(O)c1ccc(C(=O)O)c(O)c1.O=C(O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzoic acid;2-hydroxyterephthalic acid?
The InChIKey is RAGGJEKHJKQJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6O5.C7H6O3/c9-6-3-4(7(10)11)1-2-5(6)8(12)13;8-6-3-1-5(2-4-6)7(9)10/h1-3,9H,(H,10,11)(H,12,13);1-4,8H,(H,9,10).
What are the key properties of 4-hydroxybenzoic acid;2-hydroxyterephthalic acid?
4-hydroxybenzoic acid;2-hydroxyterephthalic acid has a molecular weight of 320.25 g/mol, XLogP of 1.88, 3 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzoic acid;2-hydroxyterephthalic acid is sourced from PubChem (CID 174971569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).