4-hydroxy(11C)benzoic acid

C7H6O3 — CID 11275035

IUPAC4-hydroxy(11C)benzoic acid
SMILESO=[11C](O)c1ccc(O)cc1
InChIInChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/i7-1
InChIKeyFJKROLUGYXJWQN-JZRMKITLSA-N
MW137.12 g/mol
LogP1.09
Rot. Bonds1

About 4-hydroxy(11C)benzoic acid

4-hydroxy(11C)benzoic acid (PubChem CID 11275035) has the molecular formula C7H6O3 and a molecular weight of 137.12 g/mol. Its IUPAC name is 4-hydroxy(11C)benzoic acid.

Molecular Properties

Compound Name4-hydroxy(11C)benzoic acid
PubChem CID11275035
Molecular FormulaC7H6O3
Molecular Weight137.12 g/mol
Exact Mass137.04
IUPAC Name4-hydroxy(11C)benzoic acid
SMILESO=[11C](O)c1ccc(O)cc1
InChIInChI=1S/C7H6O3/c8-6-3-1-5(2-4-6)7(9)10/h1-4,8H,(H,9,10)/i7-1
InChIKeyFJKROLUGYXJWQN-JZRMKITLSA-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 ≤ 500137.12
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxybenzoic Acid
CID 135
Methylparaben
CID 7456
Salicylic Acid
CID 338
Propylparaben
CID 7175
Butylparaben
CID 7184
Ethylparaben
CID 8434
Protocatechuic Acid
CID 72
4-Hydroxybenzaldehyde
CID 126
Hydroxyphenylacetic acid
CID 127
Sodium Salicylate
CID 16760658
3-Hydroxybenzoic Acid
CID 7420
P-Coumaric Acid
CID 637542

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy(11C)benzoic acid?
The IUPAC name of 4-hydroxy(11C)benzoic acid (CID 11275035) is 4-hydroxy(11C)benzoic acid.
What is the SMILES notation for 4-hydroxy(11C)benzoic acid?
The canonical SMILES for 4-hydroxy(11C)benzoic acid is O=[11C](O)c1ccc(O)cc1.
What is the InChIKey of 4-hydroxy(11C)benzoic acid?
The InChIKey is FJKROLUGYXJWQN-JZRMKITLSA-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)/i7-1.
What are the key properties of 4-hydroxy(11C)benzoic acid?
4-hydroxy(11C)benzoic acid has a molecular weight of 137.12 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-hydroxy(11C)benzoic acid is sourced from PubChem (CID 11275035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).