4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde

C8H5ClO3 — CID 177311411

IUPAC4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde
SMILESO=Cc1cc(C=O)c(Cl)cc1O
InChIInChI=1S/C8H5ClO3/c9-7-2-8(12)6(4-11)1-5(7)3-10/h1-4,12H
InChIKeyXJUPZXQIKNMXBP-UHFFFAOYSA-N
MW184.58 g/mol
LogP1.67
Rot. Bonds2

About 4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde

4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde (PubChem CID 177311411) has the molecular formula C8H5ClO3 and a molecular weight of 184.58 g/mol. Its IUPAC name is 4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde.

Molecular Properties

Compound Name4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde
PubChem CID177311411
Molecular FormulaC8H5ClO3
Molecular Weight184.58 g/mol
Exact Mass183.99
IUPAC Name4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde
SMILESO=Cc1cc(C=O)c(Cl)cc1O
InChIInChI=1S/C8H5ClO3/c9-7-2-8(12)6(4-11)1-5(7)3-10/h1-4,12H
InChIKeyXJUPZXQIKNMXBP-UHFFFAOYSA-N
XLogP1.67
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.58
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,5-dichloro-4-hydroxybenzaldehyde
CID 528381
4-chloro-5-(2-chlorophenyl)-2-hydroxybenzaldehyde
CID 145048893
methyl 2-chloro-5-formyl-4-hydroxybenzoate
CID 130063171
5-chloro-2-hydroxy-4-methylbenzaldehyde;methoxymethane
CID 143926582
azane;4-chloro-2-hydroxybenzaldehyde;formaldehyde
CID 161490550
5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde
CID 122358686
2,3,4-trichloro-6-hydroxybenzaldehyde
CID 528388
4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
CID 53220552
5-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
CID 53220551
(5-chloro-2-fluoro-4-formylphenyl)boronic acid
CID 171366500
5-chloro-2-ethyl-4-hydroxybenzaldehyde
CID 77174862
5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220476

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde?
The IUPAC name of 4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde (CID 177311411) is 4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde.
What is the SMILES notation for 4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde?
The canonical SMILES for 4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde is O=Cc1cc(C=O)c(Cl)cc1O.
What is the InChIKey of 4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde?
The InChIKey is XJUPZXQIKNMXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClO3/c9-7-2-8(12)6(4-11)1-5(7)3-10/h1-4,12H.
What are the key properties of 4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde?
4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde has a molecular weight of 184.58 g/mol, XLogP of 1.67, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde is sourced from PubChem (CID 177311411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).