(3-formyl-5-hydroxyphenyl)oxidanium

C7H7O3+ — CID 163604582

IUPAC(3-formyl-5-hydroxyphenyl)oxidanium
SMILESO=Cc1cc(O)cc([OH2+])c1
InChIInChI=1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H/p+1
InChIKeyHAQLHRYUDBKTJG-UHFFFAOYSA-O
MW139.13 g/mol
LogP0.64
Rot. Bonds1

About (3-formyl-5-hydroxyphenyl)oxidanium

(3-formyl-5-hydroxyphenyl)oxidanium (PubChem CID 163604582) has the molecular formula C7H7O3+ and a molecular weight of 139.13 g/mol. Its IUPAC name is (3-formyl-5-hydroxyphenyl)oxidanium.

Molecular Properties

Compound Name(3-formyl-5-hydroxyphenyl)oxidanium
PubChem CID163604582
Molecular FormulaC7H7O3+
Molecular Weight139.13 g/mol
Exact Mass139.04
IUPAC Name(3-formyl-5-hydroxyphenyl)oxidanium
SMILESO=Cc1cc(O)cc([OH2+])c1
InChIInChI=1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H/p+1
InChIKeyHAQLHRYUDBKTJG-UHFFFAOYSA-O
XLogP0.64
TPSA60.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.13
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

3,5-dihydroxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene-1-carbaldehyde
CID 169438397
3-hydroxy-5-nitrobenzaldehyde
CID 10580244
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
3,4,5-trihydroxybenzaldehyde
CID 157253405
3-(4-fluorophenyl)-5-hydroxybenzaldehyde
CID 165437487
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
bis(4-formyl-2,6-dimethylphenyl) carbonate
CID 10019268
2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
CID 19855746
3-[2-(3-ethyl-5-methylphenyl)ethenyl]-5-hydroxybenzaldehyde
CID 123674719
dipotassium;bis(3-hydroxy-5-propylbenzaldehyde);carbonate
CID 173388833
3-(3,5-dihydroxyphenyl)prop-2-enal
CID 54245519
3-chloro-4,5-dihydroxybenzaldehyde
CID 2468182

Frequently Asked Questions

What is the IUPAC name of (3-formyl-5-hydroxyphenyl)oxidanium?
The IUPAC name of (3-formyl-5-hydroxyphenyl)oxidanium (CID 163604582) is (3-formyl-5-hydroxyphenyl)oxidanium.
What is the SMILES notation for (3-formyl-5-hydroxyphenyl)oxidanium?
The canonical SMILES for (3-formyl-5-hydroxyphenyl)oxidanium is O=Cc1cc(O)cc([OH2+])c1.
What is the InChIKey of (3-formyl-5-hydroxyphenyl)oxidanium?
The InChIKey is HAQLHRYUDBKTJG-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10H/p+1.
What are the key properties of (3-formyl-5-hydroxyphenyl)oxidanium?
(3-formyl-5-hydroxyphenyl)oxidanium has a molecular weight of 139.13 g/mol, XLogP of 0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-formyl-5-hydroxyphenyl)oxidanium is sourced from PubChem (CID 163604582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).