5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde

C14H9ClO3 — CID 100926056

IUPAC5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde
SMILESO=Cc1cc(C(=O)c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C14H9ClO3/c15-12-4-1-9(2-5-12)14(18)10-3-6-13(17)11(7-10)8-16/h1-8,17H
InChIKeyBLQDAZZKSXKLDV-UHFFFAOYSA-N
MW260.68 g/mol
LogP3.09
Rot. Bonds3

About 5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde

5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde (PubChem CID 100926056) has the molecular formula C14H9ClO3 and a molecular weight of 260.68 g/mol. Its IUPAC name is 5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde.

Molecular Properties

Compound Name5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde
PubChem CID100926056
Molecular FormulaC14H9ClO3
Molecular Weight260.68 g/mol
Exact Mass260.02
IUPAC Name5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde
SMILESO=Cc1cc(C(=O)c2ccc(Cl)cc2)ccc1O
InChIInChI=1S/C14H9ClO3/c15-12-4-1-9(2-5-12)14(18)10-3-6-13(17)11(7-10)8-16/h1-8,17H
InChIKeyBLQDAZZKSXKLDV-UHFFFAOYSA-N
XLogP3.09
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 53.09
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 5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde?
The IUPAC name of 5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde (CID 100926056) is 5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde.
What is the SMILES notation for 5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde?
The canonical SMILES for 5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde is O=Cc1cc(C(=O)c2ccc(Cl)cc2)ccc1O.
What is the InChIKey of 5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde?
The InChIKey is BLQDAZZKSXKLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClO3/c15-12-4-1-9(2-5-12)14(18)10-3-6-13(17)11(7-10)8-16/h1-8,17H.
What are the key properties of 5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde?
5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde has a molecular weight of 260.68 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorobenzoyl)-2-hydroxybenzaldehyde is sourced from PubChem (CID 100926056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).