2-benzyl-5-chlorobenzaldehyde

C14H11ClO — CID 121230690

IUPAC2-benzyl-5-chlorobenzaldehyde
SMILESO=Cc1cc(Cl)ccc1Cc1ccccc1
InChIInChI=1S/C14H11ClO/c15-14-7-6-12(13(9-14)10-16)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyUMRIIVRZMQPJBG-UHFFFAOYSA-N
MW230.69 g/mol
LogP3.74
Rot. Bonds3

About 2-benzyl-5-chlorobenzaldehyde

2-benzyl-5-chlorobenzaldehyde (PubChem CID 121230690) has the molecular formula C14H11ClO and a molecular weight of 230.69 g/mol. Its IUPAC name is 2-benzyl-5-chlorobenzaldehyde.

Molecular Properties

Compound Name2-benzyl-5-chlorobenzaldehyde
PubChem CID121230690
Molecular FormulaC14H11ClO
Molecular Weight230.69 g/mol
Exact Mass230.05
IUPAC Name2-benzyl-5-chlorobenzaldehyde
SMILESO=Cc1cc(Cl)ccc1Cc1ccccc1
InChIInChI=1S/C14H11ClO/c15-14-7-6-12(13(9-14)10-16)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2
InChIKeyUMRIIVRZMQPJBG-UHFFFAOYSA-N
XLogP3.74
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 53.74
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 2-benzyl-5-chlorobenzaldehyde?
The IUPAC name of 2-benzyl-5-chlorobenzaldehyde (CID 121230690) is 2-benzyl-5-chlorobenzaldehyde.
What is the SMILES notation for 2-benzyl-5-chlorobenzaldehyde?
The canonical SMILES for 2-benzyl-5-chlorobenzaldehyde is O=Cc1cc(Cl)ccc1Cc1ccccc1.
What is the InChIKey of 2-benzyl-5-chlorobenzaldehyde?
The InChIKey is UMRIIVRZMQPJBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClO/c15-14-7-6-12(13(9-14)10-16)8-11-4-2-1-3-5-11/h1-7,9-10H,8H2.
What are the key properties of 2-benzyl-5-chlorobenzaldehyde?
2-benzyl-5-chlorobenzaldehyde has a molecular weight of 230.69 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-chlorobenzaldehyde is sourced from PubChem (CID 121230690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).