2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde

C14H12O6 — CID 175471509

IUPAC2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1O.O=Cc1cc(O)ccc1O
InChIInChI=1S/2C7H6O3/c8-4-5-3-6(9)1-2-7(5)10;8-4-5-6(9)2-1-3-7(5)10/h2*1-4,9-10H
InChIKeyXFFNNQHZJFJDDF-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.82
Rot. Bonds2

About 2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde

2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde (PubChem CID 175471509) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is 2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde.

Molecular Properties

Compound Name2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde
PubChem CID175471509
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde
SMILESO=Cc1c(O)cccc1O.O=Cc1cc(O)ccc1O
InChIInChI=1S/2C7H6O3/c8-4-5-3-6(9)1-2-7(5)10;8-4-5-6(9)2-1-3-7(5)10/h2*1-4,9-10H
InChIKeyXFFNNQHZJFJDDF-UHFFFAOYSA-N
XLogP1.82
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.24
LogP ≤ 51.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,6-dihydroxybenzaldehyde;formaldehyde
CID 158378810
2,4-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde;2,3,4,5-tetrahydroxybenzaldehyde;2,3,4-trihydroxybenzaldehyde;2,4,5-trihydroxybenzaldehyde;2,4,6-trihydroxybenzaldehyde
CID 157315786
2-hydroxy-5-methylbenzaldehyde;3-methylphenol
CID 87684857
2-hydroxy-5-[(4-hydroxyphenyl)-phenylmethyl]benzaldehyde
CID 88594631
ethane;4-hydroxyphthalaldehyde
CID 90973394
2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
CID 19855746
2-bromo-5-hydroxybenzaldehyde;3-hydroxybenzaldehyde;molecular bromine
CID 162110938
2-hydroxy-5-[1,2,2-tris(3-formyl-4-hydroxyphenyl)ethenyl]benzaldehyde
CID 146013313
2-hydroxy-5-sulfanylbenzaldehyde
CID 90836240
CID 87885081
CID 87885081
benzene-1,2-diol;2-hydroxy-5-methylbenzaldehyde
CID 175246423
CID 158421076
CID 158421076

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde?
The IUPAC name of 2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde (CID 175471509) is 2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde.
What is the SMILES notation for 2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde?
The canonical SMILES for 2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde is O=Cc1c(O)cccc1O.O=Cc1cc(O)ccc1O.
What is the InChIKey of 2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde?
The InChIKey is XFFNNQHZJFJDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O3/c8-4-5-3-6(9)1-2-7(5)10;8-4-5-6(9)2-1-3-7(5)10/h2*1-4,9-10H.
What are the key properties of 2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde?
2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde has a molecular weight of 276.24 g/mol, XLogP of 1.82, 2 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde is sourced from PubChem (CID 175471509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).