2-chloro-5-phenoxybenzaldehyde

C13H9ClO2 — CID 131420183

IUPAC2-chloro-5-phenoxybenzaldehyde
SMILESO=Cc1cc(Oc2ccccc2)ccc1Cl
InChIInChI=1S/C13H9ClO2/c14-13-7-6-12(8-10(13)9-15)16-11-4-2-1-3-5-11/h1-9H
InChIKeyKQMDFOHJYVWWEG-UHFFFAOYSA-N
MW232.67 g/mol
LogP3.94
Rot. Bonds3

About 2-chloro-5-phenoxybenzaldehyde

2-chloro-5-phenoxybenzaldehyde (PubChem CID 131420183) has the molecular formula C13H9ClO2 and a molecular weight of 232.67 g/mol. Its IUPAC name is 2-chloro-5-phenoxybenzaldehyde.

Molecular Properties

Compound Name2-chloro-5-phenoxybenzaldehyde
PubChem CID131420183
Molecular FormulaC13H9ClO2
Molecular Weight232.67 g/mol
Exact Mass232.03
IUPAC Name2-chloro-5-phenoxybenzaldehyde
SMILESO=Cc1cc(Oc2ccccc2)ccc1Cl
InChIInChI=1S/C13H9ClO2/c14-13-7-6-12(8-10(13)9-15)16-11-4-2-1-3-5-11/h1-9H
InChIKeyKQMDFOHJYVWWEG-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-diphenoxybenzaldehyde
CID 87301631
1,2-dichloro-4-phenoxybenzene;propanal
CID 174651599
2-chloro-4-(3,4-dichlorophenoxy)benzaldehyde
CID 114064183
2-chloro-7-phenoxyquinoline-3-carbaldehyde
CID 143687887
7-phenoxynaphthalene-1-carbaldehyde
CID 146459921
2-formyl-N-methyl-4-phenoxybenzamide
CID 141490804
oxophosphanium;phenoxybenzene
CID 161329594
2-chloro-5-prop-2-ynoxybenzaldehyde
CID 169409166
2-(bromomethyl)-1-chloro-4-phenoxybenzene
CID 23313954
2-chloro-4-(4-ethylphenoxy)benzaldehyde
CID 114064170
1,3,5-tris[4-(4-phenoxyphenoxy)phenoxy]benzene
CID 167430627
5,7-dichloro-3-(4-chlorophenoxy)naphthalene-1-carbaldehyde
CID 125482898

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-phenoxybenzaldehyde?
The IUPAC name of 2-chloro-5-phenoxybenzaldehyde (CID 131420183) is 2-chloro-5-phenoxybenzaldehyde.
What is the SMILES notation for 2-chloro-5-phenoxybenzaldehyde?
The canonical SMILES for 2-chloro-5-phenoxybenzaldehyde is O=Cc1cc(Oc2ccccc2)ccc1Cl.
What is the InChIKey of 2-chloro-5-phenoxybenzaldehyde?
The InChIKey is KQMDFOHJYVWWEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClO2/c14-13-7-6-12(8-10(13)9-15)16-11-4-2-1-3-5-11/h1-9H.
What are the key properties of 2-chloro-5-phenoxybenzaldehyde?
2-chloro-5-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-5-phenoxybenzaldehyde is sourced from PubChem (CID 131420183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).