4-hydroxybenzoic acid

C7H6O3 — CID 135

IUPAC4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1
InChIInChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
InChIKeyFJKROLUGYXJWQN-UHFFFAOYSA-N
MW138.12 g/mol
LogP1.09
Rot. Bonds1

About 4-hydroxybenzoic acid

4-hydroxybenzoic acid (PubChem CID 135) has the molecular formula C7H6O3 and a molecular weight of 138.12 g/mol. Its IUPAC name is 4-hydroxybenzoic acid.

Molecular Properties

Compound Name4-hydroxybenzoic acid
PubChem CID135
Molecular FormulaC7H6O3
Molecular Weight138.12 g/mol
Exact Mass138.03
IUPAC Name4-hydroxybenzoic acid
SMILESO=C(O)c1ccc(O)cc1
InChIInChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)
InChIKeyFJKROLUGYXJWQN-UHFFFAOYSA-N
XLogP1.09
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxybenzoic acid?
The IUPAC name of 4-hydroxybenzoic acid (CID 135) is 4-hydroxybenzoic acid.
What is the SMILES notation for 4-hydroxybenzoic acid?
The canonical SMILES for 4-hydroxybenzoic acid is O=C(O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxybenzoic acid?
The InChIKey is FJKROLUGYXJWQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10).
What are the key properties of 4-hydroxybenzoic acid?
4-hydroxybenzoic acid has a molecular weight of 138.12 g/mol, XLogP of 1.09, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybenzoic acid is sourced from PubChem (CID 135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).