2,5-dichloro-4-hydroxybenzaldehyde

C7H4Cl2O2 — CID 528381

IUPAC2,5-dichloro-4-hydroxybenzaldehyde
SMILESO=Cc1cc(Cl)c(O)cc1Cl
InChIInChI=1S/C7H4Cl2O2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-3,11H
InChIKeyBUJHRHRKNMSZAW-UHFFFAOYSA-N
MW191.01 g/mol
LogP2.51
Rot. Bonds1

About 2,5-dichloro-4-hydroxybenzaldehyde

2,5-dichloro-4-hydroxybenzaldehyde (PubChem CID 528381) has the molecular formula C7H4Cl2O2 and a molecular weight of 191.01 g/mol. Its IUPAC name is 2,5-dichloro-4-hydroxybenzaldehyde.

Molecular Properties

Compound Name2,5-dichloro-4-hydroxybenzaldehyde
PubChem CID528381
Molecular FormulaC7H4Cl2O2
Molecular Weight191.01 g/mol
Exact Mass189.96
IUPAC Name2,5-dichloro-4-hydroxybenzaldehyde
SMILESO=Cc1cc(Cl)c(O)cc1Cl
InChIInChI=1S/C7H4Cl2O2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-3,11H
InChIKeyBUJHRHRKNMSZAW-UHFFFAOYSA-N
XLogP2.51
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.01
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde
CID 177311411
5-chloro-2-ethyl-4-hydroxybenzaldehyde
CID 77174862
2,5-dichloro-4-(3-hydroxyprop-1-enyl)phenol
CID 169453261
5-chloro-6-hydroxy-1H-indole-3-carbaldehyde
CID 123762927
5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane
CID 143926582
2-chloro-5-hydroxy-1H-pyrrole-3-carbaldehyde
CID 98012839
2,3,4-trichloro-6-hydroxybenzaldehyde
CID 528388
2,5-dichloro-4-nitrosophenol
CID 16767194
azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde
CID 161490550
(5-chloro-2-fluoro-4-formylphenyl)boronic acid
CID 171366500
4-chloro-5-(2-chlorophenyl)-2-hydroxybenzaldehyde
CID 145048893
methyl 4-(2,5-dichloro-4-hydroxyphenyl)but-3-enoate
CID 170500825

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-hydroxybenzaldehyde?
The IUPAC name of 2,5-dichloro-4-hydroxybenzaldehyde (CID 528381) is 2,5-dichloro-4-hydroxybenzaldehyde.
What is the SMILES notation for 2,5-dichloro-4-hydroxybenzaldehyde?
The canonical SMILES for 2,5-dichloro-4-hydroxybenzaldehyde is O=Cc1cc(Cl)c(O)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-hydroxybenzaldehyde?
The InChIKey is BUJHRHRKNMSZAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O2/c8-5-2-7(11)6(9)1-4(5)3-10/h1-3,11H.
What are the key properties of 2,5-dichloro-4-hydroxybenzaldehyde?
2,5-dichloro-4-hydroxybenzaldehyde has a molecular weight of 191.01 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-hydroxybenzaldehyde is sourced from PubChem (CID 528381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).