benzoic acid;4-hydroxybenzoic acid

C14H12O5 — CID 118205840

IUPACbenzoic acid;4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O3.C7H6O2/c8-6-3-1-5(2-4-6)7(9)10;8-7(9)6-4-2-1-3-5-6/h1-4,8H,(H,9,10);1-5H,(H,8,9)
InChIKeyMARKAJRMJIFCLH-UHFFFAOYSA-N
MW260.25 g/mol
LogP2.48
Rot. Bonds2

About benzoic acid;4-hydroxybenzoic acid

benzoic acid;4-hydroxybenzoic acid (PubChem CID 118205840) has the molecular formula C14H12O5 and a molecular weight of 260.25 g/mol. Its IUPAC name is benzoic acid;4-hydroxybenzoic acid.

Molecular Properties

Compound Namebenzoic acid;4-hydroxybenzoic acid
PubChem CID118205840
Molecular FormulaC14H12O5
Molecular Weight260.25 g/mol
Exact Mass260.07
IUPAC Namebenzoic acid;4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1.O=C(O)c1ccccc1
InChIInChI=1S/C7H6O3.C7H6O2/c8-6-3-1-5(2-4-6)7(9)10;8-7(9)6-4-2-1-3-5-6/h1-4,8H,(H,9,10);1-5H,(H,8,9)
InChIKeyMARKAJRMJIFCLH-UHFFFAOYSA-N
XLogP2.48
TPSA94.83 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;4-hydroxybenzoic acid?
The IUPAC name of benzoic acid;4-hydroxybenzoic acid (CID 118205840) is benzoic acid;4-hydroxybenzoic acid.
What is the SMILES notation for benzoic acid;4-hydroxybenzoic acid?
The canonical SMILES for benzoic acid;4-hydroxybenzoic acid is O=C(O)c1ccc(O)cc1.O=C(O)c1ccccc1.
What is the InChIKey of benzoic acid;4-hydroxybenzoic acid?
The InChIKey is MARKAJRMJIFCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3.C7H6O2/c8-6-3-1-5(2-4-6)7(9)10;8-7(9)6-4-2-1-3-5-6/h1-4,8H,(H,9,10);1-5H,(H,8,9).
What are the key properties of benzoic acid;4-hydroxybenzoic acid?
benzoic acid;4-hydroxybenzoic acid has a molecular weight of 260.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;4-hydroxybenzoic acid is sourced from PubChem (CID 118205840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).