3-[(3,4-dichlorophenyl)methoxy]benzaldehyde

C14H10Cl2O2 — CID 735485

IUPAC3-[(3,4-dichlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H10Cl2O2/c15-13-5-4-11(7-14(13)16)9-18-12-3-1-2-10(6-12)8-17/h1-8H,9H2
InChIKeySRNAKIRKGJOJIO-UHFFFAOYSA-N
MW281.14 g/mol
LogP4.38
Rot. Bonds4

About 3-[(3,4-dichlorophenyl)methoxy]benzaldehyde

3-[(3,4-dichlorophenyl)methoxy]benzaldehyde (PubChem CID 735485) has the molecular formula C14H10Cl2O2 and a molecular weight of 281.14 g/mol. Its IUPAC name is 3-[(3,4-dichlorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-[(3,4-dichlorophenyl)methoxy]benzaldehyde
PubChem CID735485
Molecular FormulaC14H10Cl2O2
Molecular Weight281.14 g/mol
Exact Mass280.01
IUPAC Name3-[(3,4-dichlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1
InChIInChI=1S/C14H10Cl2O2/c15-13-5-4-11(7-14(13)16)9-18-12-3-1-2-10(6-12)8-17/h1-8H,9H2
InChIKeySRNAKIRKGJOJIO-UHFFFAOYSA-N
XLogP4.38
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 ≤ 54.38
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

3-Phenoxybenzaldehyde
CID 38284
4-[(4-Chlorobenzyl)oxy]-3-ethoxybenzaldehyde
CID 693306
3-Benzyloxybenzaldehyde
CID 74342
1-(4-((4-Chlorobenzyl)oxy)phenyl)ethanone
CID 580653
(2E)-1-(4-chlorophenyl)-3-(3-methoxyphenyl)prop-2-en-1-one
CID 5346177
3-[(3-Chlorophenyl)methoxy]benzoic acid
CID 8707035
4-[(4-Chlorobenzyl)oxy]benzaldehyde
CID 580647
4-((2,4-Dichlorophenyl)methoxy)-3-methoxybenzaldehyde
CID 735462
3-((4-Chlorophenyl)methoxy)benzoic acid
CID 918455
3-(3,4-Dichlorophenoxy)benzaldehyde
CID 157289
1-Acetyl-3-[(4-chlorophenyl)methoxy]benzene
CID 895200
1-{4-[(3-Chlorobenzyl)oxy]phenyl}ethanone
CID 13340061

Frequently Asked Questions

What is the IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-[(3,4-dichlorophenyl)methoxy]benzaldehyde (CID 735485) is 3-[(3,4-dichlorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-[(3,4-dichlorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-[(3,4-dichlorophenyl)methoxy]benzaldehyde is O=Cc1cccc(OCc2ccc(Cl)c(Cl)c2)c1.
What is the InChIKey of 3-[(3,4-dichlorophenyl)methoxy]benzaldehyde?
The InChIKey is SRNAKIRKGJOJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2/c15-13-5-4-11(7-14(13)16)9-18-12-3-1-2-10(6-12)8-17/h1-8H,9H2.
What are the key properties of 3-[(3,4-dichlorophenyl)methoxy]benzaldehyde?
3-[(3,4-dichlorophenyl)methoxy]benzaldehyde has a molecular weight of 281.14 g/mol, XLogP of 4.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,4-dichlorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 735485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).