2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde

C14H10Cl2O2 — CID 87850668

IUPAC2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde
SMILESO=CC(Cl)(Cl)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H10Cl2O2/c15-14(16,10-17)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10H
InChIKeyYXSVJPBVFHFZIP-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.31
Rot. Bonds4

About 2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde

2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde (PubChem CID 87850668) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde.

Molecular Properties

Compound Name2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde
PubChem CID87850668
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde
SMILESO=CC(Cl)(Cl)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H10Cl2O2/c15-14(16,10-17)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10H
InChIKeyYXSVJPBVFHFZIP-UHFFFAOYSA-N
XLogP4.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.14
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde?
The IUPAC name of 2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde (CID 87850668) is 2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde.
What is the SMILES notation for 2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde?
The canonical SMILES for 2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde is O=CC(Cl)(Cl)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde?
The InChIKey is YXSVJPBVFHFZIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c15-14(16,10-17)11-6-8-13(9-7-11)18-12-4-2-1-3-5-12/h1-10H.
What are the key properties of 2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde?
2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde has a molecular weight of 281.14 g/mol, XLogP of 4.31, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-2-(4-phenoxyphenyl)acetaldehyde is sourced from PubChem (CID 87850668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).