5-chloro-2-phenylbenzaldehyde

C13H9ClO — CID 66159102

IUPAC5-chloro-2-phenylbenzaldehyde
SMILESO=Cc1cc(Cl)ccc1-c1ccccc1
InChIInChI=1S/C13H9ClO/c14-12-6-7-13(11(8-12)9-15)10-4-2-1-3-5-10/h1-9H
InChIKeyBPWATAJMPLXNIV-UHFFFAOYSA-N
MW216.67 g/mol
LogP3.82
Rot. Bonds2

About 5-chloro-2-phenylbenzaldehyde

5-chloro-2-phenylbenzaldehyde (PubChem CID 66159102) has the molecular formula C13H9ClO and a molecular weight of 216.67 g/mol. Its IUPAC name is 5-chloro-2-phenylbenzaldehyde.

Molecular Properties

Compound Name5-chloro-2-phenylbenzaldehyde
PubChem CID66159102
Molecular FormulaC13H9ClO
Molecular Weight216.67 g/mol
Exact Mass216.03
IUPAC Name5-chloro-2-phenylbenzaldehyde
SMILESO=Cc1cc(Cl)ccc1-c1ccccc1
InChIInChI=1S/C13H9ClO/c14-12-6-7-13(11(8-12)9-15)10-4-2-1-3-5-10/h1-9H
InChIKeyBPWATAJMPLXNIV-UHFFFAOYSA-N
XLogP3.82
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-chloro-2-phenylbenzaldehyde?
The IUPAC name of 5-chloro-2-phenylbenzaldehyde (CID 66159102) is 5-chloro-2-phenylbenzaldehyde.
What is the SMILES notation for 5-chloro-2-phenylbenzaldehyde?
The canonical SMILES for 5-chloro-2-phenylbenzaldehyde is O=Cc1cc(Cl)ccc1-c1ccccc1.
What is the InChIKey of 5-chloro-2-phenylbenzaldehyde?
The InChIKey is BPWATAJMPLXNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO/c14-12-6-7-13(11(8-12)9-15)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-chloro-2-phenylbenzaldehyde?
5-chloro-2-phenylbenzaldehyde has a molecular weight of 216.67 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenylbenzaldehyde is sourced from PubChem (CID 66159102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).