2-hydroxybenzaldehyde;3-hydroxybenzaldehyde

C14H12O4 — CID 19855746

IUPAC2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
SMILESO=Cc1cccc(O)c1.O=Cc1ccccc1O
InChIInChI=1S/2C7H6O2/c8-5-6-2-1-3-7(9)4-6;8-5-6-3-1-2-4-7(6)9/h2*1-5,9H
InChIKeyXPHRTKOIPMJCAR-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.41
Rot. Bonds2

About 2-hydroxybenzaldehyde;3-hydroxybenzaldehyde

2-hydroxybenzaldehyde;3-hydroxybenzaldehyde (PubChem CID 19855746) has the molecular formula C14H12O4 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-hydroxybenzaldehyde;3-hydroxybenzaldehyde.

Molecular Properties

Compound Name2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
PubChem CID19855746
Molecular FormulaC14H12O4
Molecular Weight244.25 g/mol
Exact Mass244.07
IUPAC Name2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
SMILESO=Cc1cccc(O)c1.O=Cc1ccccc1O
InChIInChI=1S/2C7H6O2/c8-5-6-2-1-3-7(9)4-6;8-5-6-3-1-2-4-7(6)9/h2*1-5,9H
InChIKeyXPHRTKOIPMJCAR-UHFFFAOYSA-N
XLogP2.41
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-acetyl-3-hydroxybenzaldehyde;2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
CID 160602944
3-hydroxybenzaldehyde;methoxymethane
CID 163225851
CID 158421076
CID 158421076
2-hydroxybenzaldehyde;nickel(2+)
CID 18320961
2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine
CID 162110938
ethene;2-hydroxybenzaldehyde
CID 23043417
sodium;hydride;2-hydroxybenzaldehyde
CID 173406661
2-hydroxybenzaldehyde;methanamine
CID 174602056
benzene-1,2-diamine;bis(2-hydroxybenzaldehyde)
CID 87647711
benzene-1,2-diamine;2-hydroxybenzaldehyde
CID 22463498
2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde
CID 160982415
disodium;2-hydroxybenzaldehyde;sulfite
CID 21115552

Frequently Asked Questions

What is the IUPAC name of 2-hydroxybenzaldehyde;3-hydroxybenzaldehyde?
The IUPAC name of 2-hydroxybenzaldehyde;3-hydroxybenzaldehyde (CID 19855746) is 2-hydroxybenzaldehyde;3-hydroxybenzaldehyde.
What is the SMILES notation for 2-hydroxybenzaldehyde;3-hydroxybenzaldehyde?
The canonical SMILES for 2-hydroxybenzaldehyde;3-hydroxybenzaldehyde is O=Cc1cccc(O)c1.O=Cc1ccccc1O.
What is the InChIKey of 2-hydroxybenzaldehyde;3-hydroxybenzaldehyde?
The InChIKey is XPHRTKOIPMJCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O2/c8-5-6-2-1-3-7(9)4-6;8-5-6-3-1-2-4-7(6)9/h2*1-5,9H.
What are the key properties of 2-hydroxybenzaldehyde;3-hydroxybenzaldehyde?
2-hydroxybenzaldehyde;3-hydroxybenzaldehyde has a molecular weight of 244.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxybenzaldehyde;3-hydroxybenzaldehyde is sourced from PubChem (CID 19855746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).