3-hydroxybenzaldehyde

C7H6O2 — CID 101

IUPAC3-hydroxybenzaldehyde
SMILESO=Cc1cccc(O)c1
InChIInChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
InChIKeyIAVREABSGIHHMO-UHFFFAOYSA-N
MW122.12 g/mol
LogP1.20
Rot. Bonds1

About 3-hydroxybenzaldehyde

3-hydroxybenzaldehyde (PubChem CID 101) has the molecular formula C7H6O2 and a molecular weight of 122.12 g/mol. Its IUPAC name is 3-hydroxybenzaldehyde.

Molecular Properties

Compound Name3-hydroxybenzaldehyde
PubChem CID101
Molecular FormulaC7H6O2
Molecular Weight122.12 g/mol
Exact Mass122.04
IUPAC Name3-hydroxybenzaldehyde
SMILESO=Cc1cccc(O)c1
InChIInChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H
InChIKeyIAVREABSGIHHMO-UHFFFAOYSA-N
XLogP1.20
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxybenzaldehyde?
The IUPAC name of 3-hydroxybenzaldehyde (CID 101) is 3-hydroxybenzaldehyde.
What is the SMILES notation for 3-hydroxybenzaldehyde?
The canonical SMILES for 3-hydroxybenzaldehyde is O=Cc1cccc(O)c1.
What is the InChIKey of 3-hydroxybenzaldehyde?
The InChIKey is IAVREABSGIHHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2/c8-5-6-2-1-3-7(9)4-6/h1-5,9H.
What are the key properties of 3-hydroxybenzaldehyde?
3-hydroxybenzaldehyde has a molecular weight of 122.12 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxybenzaldehyde is sourced from PubChem (CID 101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).