3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde

C14H9Cl3O2 — CID 112611220

IUPAC3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(Cl)c1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl3O2/c15-11-4-5-12(16)10(6-11)8-19-14-9(7-18)2-1-3-13(14)17/h1-7H,8H2
InChIKeyKCXMLOGQMZEYFY-UHFFFAOYSA-N
MW315.58 g/mol
LogP5.04
Rot. Bonds4

About 3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde

3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde (PubChem CID 112611220) has the molecular formula C14H9Cl3O2 and a molecular weight of 315.58 g/mol. Its IUPAC name is 3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde.

Molecular Properties

Compound Name3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde
PubChem CID112611220
Molecular FormulaC14H9Cl3O2
Molecular Weight315.58 g/mol
Exact Mass313.97
IUPAC Name3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde
SMILESO=Cc1cccc(Cl)c1OCc1cc(Cl)ccc1Cl
InChIInChI=1S/C14H9Cl3O2/c15-11-4-5-12(16)10(6-11)8-19-14-9(7-18)2-1-3-13(14)17/h1-7H,8H2
InChIKeyKCXMLOGQMZEYFY-UHFFFAOYSA-N
XLogP5.04
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.58
LogP ≤ 55.04
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-chloro-2-[(2-chlorophenyl)methoxy]benzaldehyde
CID 112611328
3-chloro-2-[(2,5-difluorophenyl)methoxy]benzaldehyde
CID 112611434
3-chloro-2-[(2-methylphenyl)methoxy]benzaldehyde
CID 112611304
3-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 102876870
2-[(2,5-dichlorophenyl)methoxy]-5-methylbenzaldehyde
CID 65317531
2-[(5-chloro-2-nitrophenyl)methoxy]-3-fluorobenzaldehyde
CID 115955758
2-[(2-chloro-4-fluorophenyl)methoxy]-3-fluorobenzaldehyde
CID 112611712
3-[(2-chloro-6-formylphenoxy)methyl]-4-methoxybenzonitrile
CID 115955624
3-chloro-2-(1,3-thiazol-2-ylmethoxy)benzaldehyde
CID 112611324
3-chloro-2-[(3-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 115955681
2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 65317291
2-(2-chloro-6-formylphenoxy)acetic acid
CID 91570731

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde?
The IUPAC name of 3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde (CID 112611220) is 3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde.
What is the SMILES notation for 3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde?
The canonical SMILES for 3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde is O=Cc1cccc(Cl)c1OCc1cc(Cl)ccc1Cl.
What is the InChIKey of 3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde?
The InChIKey is KCXMLOGQMZEYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl3O2/c15-11-4-5-12(16)10(6-11)8-19-14-9(7-18)2-1-3-13(14)17/h1-7H,8H2.
What are the key properties of 3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde?
3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde has a molecular weight of 315.58 g/mol, XLogP of 5.04, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(2,5-dichlorophenyl)methoxy]benzaldehyde is sourced from PubChem (CID 112611220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).