4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde

C13H8Cl2O2 — CID 53220552

IUPAC4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(-c2cc(Cl)ccc2Cl)cc1O
InChIInChI=1S/C13H8Cl2O2/c14-10-3-4-12(15)11(6-10)8-1-2-9(7-16)13(17)5-8/h1-7,17H
InChIKeyVBWDLAQPFBVQIW-UHFFFAOYSA-N
MW267.11 g/mol
LogP4.18
Rot. Bonds2

About 4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde

4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde (PubChem CID 53220552) has the molecular formula C13H8Cl2O2 and a molecular weight of 267.11 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
PubChem CID53220552
Molecular FormulaC13H8Cl2O2
Molecular Weight267.11 g/mol
Exact Mass265.99
IUPAC Name4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde
SMILESO=Cc1ccc(-c2cc(Cl)ccc2Cl)cc1O
InChIInChI=1S/C13H8Cl2O2/c14-10-3-4-12(15)11(6-10)8-1-2-9(7-16)13(17)5-8/h1-7,17H
InChIKeyVBWDLAQPFBVQIW-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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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde?
The IUPAC name of 4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde (CID 53220552) is 4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde is O=Cc1ccc(-c2cc(Cl)ccc2Cl)cc1O.
What is the InChIKey of 4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde?
The InChIKey is VBWDLAQPFBVQIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2O2/c14-10-3-4-12(15)11(6-10)8-1-2-9(7-16)13(17)5-8/h1-7,17H.
What are the key properties of 4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde?
4-(2,5-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 4-(2,5-dichlorophenyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 53220552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).