3-[dichloro-(3-formylphenyl)methyl]benzaldehyde

C15H10Cl2O2 — CID 57260352

IUPAC3-[dichloro-(3-formylphenyl)methyl]benzaldehyde
SMILESO=Cc1cccc(C(Cl)(Cl)c2cccc(C=O)c2)c1
InChIInChI=1S/C15H10Cl2O2/c16-15(17,13-5-1-3-11(7-13)9-18)14-6-2-4-12(8-14)10-19/h1-10H
InChIKeyGTLWFIZCCBRIGP-UHFFFAOYSA-N
MW293.15 g/mol
LogP3.99
Rot. Bonds4

About 3-[dichloro-(3-formylphenyl)methyl]benzaldehyde

3-[dichloro-(3-formylphenyl)methyl]benzaldehyde (PubChem CID 57260352) has the molecular formula C15H10Cl2O2 and a molecular weight of 293.15 g/mol. Its IUPAC name is 3-[dichloro-(3-formylphenyl)methyl]benzaldehyde.

Molecular Properties

Compound Name3-[dichloro-(3-formylphenyl)methyl]benzaldehyde
PubChem CID57260352
Molecular FormulaC15H10Cl2O2
Molecular Weight293.15 g/mol
Exact Mass292.01
IUPAC Name3-[dichloro-(3-formylphenyl)methyl]benzaldehyde
SMILESO=Cc1cccc(C(Cl)(Cl)c2cccc(C=O)c2)c1
InChIInChI=1S/C15H10Cl2O2/c16-15(17,13-5-1-3-11(7-13)9-18)14-6-2-4-12(8-14)10-19/h1-10H
InChIKeyGTLWFIZCCBRIGP-UHFFFAOYSA-N
XLogP3.99
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 53.99
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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Related Compounds

3-(1,1,2,2-tetrafluoroethyl)benzaldehyde
CID 84722173
3-(2-hydroxy-3,3-dimethylbutan-2-yl)benzaldehyde
CID 115024778
3-[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]benzaldehyde
CID 122476067
benzene-1,3-dicarbaldehyde;ethane
CID 91375977
benzene-1,3-dicarbaldehyde;carbon monoxide;chromium
CID 11161539
formyl chloride;3-(trifluoromethoxy)benzaldehyde
CID 174520799
CID 134861589
CID 134861589
4-[chloro(diphenyl)methyl]benzaldehyde
CID 175567585
2-(3-formylphenyl)ethenylideneazanide
CID 139243021
3-[chloro-(3-formylphenyl)methyl]benzaldehyde
CID 57015313
3-[3-(trifluoromethyl)phenoxy]benzaldehyde
CID 522711
3-(trifluoromethyl)benzaldehyde;3-(trifluoromethyl)benzamide;chloride
CID 157401586

Frequently Asked Questions

What is the IUPAC name of 3-[dichloro-(3-formylphenyl)methyl]benzaldehyde?
The IUPAC name of 3-[dichloro-(3-formylphenyl)methyl]benzaldehyde (CID 57260352) is 3-[dichloro-(3-formylphenyl)methyl]benzaldehyde.
What is the SMILES notation for 3-[dichloro-(3-formylphenyl)methyl]benzaldehyde?
The canonical SMILES for 3-[dichloro-(3-formylphenyl)methyl]benzaldehyde is O=Cc1cccc(C(Cl)(Cl)c2cccc(C=O)c2)c1.
What is the InChIKey of 3-[dichloro-(3-formylphenyl)methyl]benzaldehyde?
The InChIKey is GTLWFIZCCBRIGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2O2/c16-15(17,13-5-1-3-11(7-13)9-18)14-6-2-4-12(8-14)10-19/h1-10H.
What are the key properties of 3-[dichloro-(3-formylphenyl)methyl]benzaldehyde?
3-[dichloro-(3-formylphenyl)methyl]benzaldehyde has a molecular weight of 293.15 g/mol, XLogP of 3.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[dichloro-(3-formylphenyl)methyl]benzaldehyde is sourced from PubChem (CID 57260352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).