2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde

C15H13ClO3 — CID 134954056

IUPAC2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde
SMILESO=Cc1cccc(OCCO)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO3/c16-13-6-4-11(5-7-13)15-12(10-18)2-1-3-14(15)19-9-8-17/h1-7,10,17H,8-9H2
InChIKeyIVQOCVFOEJDULX-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.19
Rot. Bonds5

About 2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde

2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde (PubChem CID 134954056) has the molecular formula C15H13ClO3 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde
PubChem CID134954056
Molecular FormulaC15H13ClO3
Molecular Weight276.72 g/mol
Exact Mass276.06
IUPAC Name2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde
SMILESO=Cc1cccc(OCCO)c1-c1ccc(Cl)cc1
InChIInChI=1S/C15H13ClO3/c16-13-6-4-11(5-7-13)15-12(10-18)2-1-3-14(15)19-9-8-17/h1-7,10,17H,8-9H2
InChIKeyIVQOCVFOEJDULX-UHFFFAOYSA-N
XLogP3.19
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde?
The IUPAC name of 2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde (CID 134954056) is 2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde?
The canonical SMILES for 2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde is O=Cc1cccc(OCCO)c1-c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde?
The InChIKey is IVQOCVFOEJDULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3/c16-13-6-4-11(5-7-13)15-12(10-18)2-1-3-14(15)19-9-8-17/h1-7,10,17H,8-9H2.
What are the key properties of 2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde?
2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde has a molecular weight of 276.72 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(2-hydroxyethoxy)benzaldehyde is sourced from PubChem (CID 134954056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).