2-chloro-6-phenoxybenzaldehyde

C13H9ClO2 — CID 18663602

IUPAC2-chloro-6-phenoxybenzaldehyde
SMILESO=Cc1c(Cl)cccc1Oc1ccccc1
InChIInChI=1S/C13H9ClO2/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-9H
InChIKeyWCNLFBTYIWVHHA-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.94
Rot. Bonds3

About 2-chloro-6-phenoxybenzaldehyde

2-chloro-6-phenoxybenzaldehyde (PubChem CID 18663602) has the molecular formula C13H9ClO2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-chloro-6-phenoxybenzaldehyde.

Molecular Properties

Compound Name2-chloro-6-phenoxybenzaldehyde
PubChem CID18663602
Molecular FormulaC13H9ClO2
Molecular Weight232.67 g/mol
Exact Mass232.03
IUPAC Name2-chloro-6-phenoxybenzaldehyde
SMILESO=Cc1c(Cl)cccc1Oc1ccccc1
InChIInChI=1S/C13H9ClO2/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-9H
InChIKeyWCNLFBTYIWVHHA-UHFFFAOYSA-N
XLogP3.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.67
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromophenoxy)-6-chlorobenzaldehyde
CID 28552833
2-chloro-6-(2-phenoxyethoxy)benzaldehyde
CID 28603977
2-chloro-6-(3-methylsulfonylphenoxy)benzaldehyde
CID 43807103
2-(3-bromo-4-fluorophenoxy)-6-chlorobenzaldehyde
CID 83233968
2-(3-bromo-5-fluorophenoxy)-6-chlorobenzaldehyde
CID 81331815
2-(3-chloro-2-formylphenoxy)benzamide
CID 28603903
azane;1-chloro-2-phenoxybenzene
CID 68980819
2-chloro-6-(2,3,6-trimethylphenoxy)benzaldehyde
CID 43167605
1-chloro-2-methyl-3-phenoxybenzene
CID 54026510
(2-chloro-6-phenoxyphenyl)methanamine
CID 2777206
2-chloro-6-(4,6-dimethoxypyrimidin-2-yl)oxybenzaldehyde
CID 15612007
2,6-dichlorobenzaldehyde;ethane
CID 90823593

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-phenoxybenzaldehyde?
The IUPAC name of 2-chloro-6-phenoxybenzaldehyde (CID 18663602) is 2-chloro-6-phenoxybenzaldehyde.
What is the SMILES notation for 2-chloro-6-phenoxybenzaldehyde?
The canonical SMILES for 2-chloro-6-phenoxybenzaldehyde is O=Cc1c(Cl)cccc1Oc1ccccc1.
What is the InChIKey of 2-chloro-6-phenoxybenzaldehyde?
The InChIKey is WCNLFBTYIWVHHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2/c14-12-7-4-8-13(11(12)9-15)16-10-5-2-1-3-6-10/h1-9H.
What are the key properties of 2-chloro-6-phenoxybenzaldehyde?
2-chloro-6-phenoxybenzaldehyde has a molecular weight of 232.67 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-phenoxybenzaldehyde is sourced from PubChem (CID 18663602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).