5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde

C13H8Cl2O2 — CID 122358686

IUPAC5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2c(Cl)cccc2Cl)ccc1O
InChIInChI=1S/C13H8Cl2O2/c14-10-2-1-3-11(15)13(10)8-4-5-12(17)9(6-8)7-16/h1-7,17H
InChIKeyXTBSDAPEEWXDSZ-UHFFFAOYSA-N
MW267.11 g/mol
LogP4.18
Rot. Bonds2

About 5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde

5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde (PubChem CID 122358686) has the molecular formula C13H8Cl2O2 and a molecular weight of 267.11 g/mol. Its IUPAC name is 5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde
PubChem CID122358686
Molecular FormulaC13H8Cl2O2
Molecular Weight267.11 g/mol
Exact Mass265.99
IUPAC Name5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde
SMILESO=Cc1cc(-c2c(Cl)cccc2Cl)ccc1O
InChIInChI=1S/C13H8Cl2O2/c14-10-2-1-3-11(15)13(10)8-4-5-12(17)9(6-8)7-16/h1-7,17H
InChIKeyXTBSDAPEEWXDSZ-UHFFFAOYSA-N
XLogP4.18
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.11
LogP ≤ 54.18
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

5-(2,6-difluorophenyl)-2-hydroxybenzaldehyde
CID 53220383
5-(3-chloro-4-fluorophenyl)-2-hydroxybenzaldehyde
CID 53220476
5-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
CID 53220551
5-(2,6-dichlorophenyl)-2-oxo-1H-pyridine-3-carbaldehyde
CID 133092727
5-(3-acetylphenyl)-2-hydroxybenzaldehyde
CID 53220389
5-[2-(3-formyl-4-hydroxyphenyl)ethynyl]-2-hydroxybenzaldehyde
CID 102476635
1,3,5-tris(2,6-dichlorophenyl)benzene
CID 134437988
4-chloro-6-hydroxybenzene-1,3-dicarbaldehyde
CID 177311411
2,5-dihydroxybenzaldehyde;2,6-dihydroxybenzaldehyde
CID 175471509
3-(2,6-dichlorophenyl)-5-fluorobenzaldehyde
CID 119005292
4-chloro-5-(2-chlorophenyl)-2-hydroxybenzaldehyde
CID 145048893
2-(3-formyl-4-hydroxyphenyl)benzonitrile
CID 23005123

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde?
The IUPAC name of 5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde (CID 122358686) is 5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde is O=Cc1cc(-c2c(Cl)cccc2Cl)ccc1O.
What is the InChIKey of 5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde?
The InChIKey is XTBSDAPEEWXDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O2/c14-10-2-1-3-11(15)13(10)8-4-5-12(17)9(6-8)7-16/h1-7,17H.
What are the key properties of 5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde?
5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde has a molecular weight of 267.11 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dichlorophenyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 122358686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).