2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde

C14H12O6 — CID 160982415

IUPAC2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde
SMILESO=Cc1ccc(O)c(O)c1.O=Cc1cccc(O)c1O
InChIInChI=1S/2C7H6O3/c8-4-5-1-2-6(9)7(10)3-5;8-4-5-2-1-3-6(9)7(5)10/h2*1-4,9-10H
InChIKeySZRNDWCDKGBKJY-UHFFFAOYSA-N
MW276.24 g/mol
LogP1.82
Rot. Bonds2

About 2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde

2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde (PubChem CID 160982415) has the molecular formula C14H12O6 and a molecular weight of 276.24 g/mol. Its IUPAC name is 2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde.

Molecular Properties

Compound Name2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde
PubChem CID160982415
Molecular FormulaC14H12O6
Molecular Weight276.24 g/mol
Exact Mass276.06
IUPAC Name2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde
SMILESO=Cc1ccc(O)c(O)c1.O=Cc1cccc(O)c1O
InChIInChI=1S/2C7H6O3/c8-4-5-1-2-6(9)7(10)3-5;8-4-5-2-1-3-6(9)7(5)10/h2*1-4,9-10H
InChIKeySZRNDWCDKGBKJY-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': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2,3-dihydroxybenzaldehyde
CID 159243971
benzaldehyde;3,4-dihydroxybenzaldehyde
CID 160880582
3,4-dideuteriooxybenzaldehyde;3,4-dihydroxybenzaldehyde
CID 158431021
actinium;3,4-dihydroxybenzaldehyde;4-ethenylbenzene-1,2-diol
CID 160848068
(Z)-but-2-enedinitrile;2,3-dihydroxybenzaldehyde
CID 175422336
4,5-dihydroxybenzene-1,3-dicarbaldehyde
CID 19069872
4-[2-(2-hydroxyphenyl)ethenyl]benzene-1,2-diol
CID 54133293
4-(4-formyl-2-hydroxyphenyl)-3-hydroxybenzaldehyde
CID 176967469
2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
CID 19855746
3,4-dihydroxybenzaldehyde;N-methyl-1-phenylmethanamine
CID 175403126
diaziridine-1,3,3-triamine;3,4-dihydroxybenzaldehyde
CID 174188033
4-acetyl-3-hydroxybenzaldehyde;2-hydroxybenzaldehyde;3-hydroxybenzaldehyde
CID 160602944

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde?
The IUPAC name of 2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde (CID 160982415) is 2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde.
What is the SMILES notation for 2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde?
The canonical SMILES for 2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde is O=Cc1ccc(O)c(O)c1.O=Cc1cccc(O)c1O.
What is the InChIKey of 2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde?
The InChIKey is SZRNDWCDKGBKJY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H6O3/c8-4-5-1-2-6(9)7(10)3-5;8-4-5-2-1-3-6(9)7(5)10/h2*1-4,9-10H.
What are the key properties of 2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde?
2,3-dihydroxybenzaldehyde;3,4-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 2,3-dihydroxybenzaldehyde;3,4-dihydroxybenzaldehyde is sourced from PubChem (CID 160982415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).