5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde

C18H12Cl2O3 — CID 169334376

IUPAC5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1
InChIInChI=1S/C18H12Cl2O3/c19-14-4-1-13(17(20)9-14)11-22-15-5-2-12(3-6-15)18-8-7-16(10-21)23-18/h1-10H,11H2
InChIKeyROROFOYYEPZXQY-UHFFFAOYSA-N
MW347.20 g/mol
LogP5.64
Rot. Bonds5

About 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde

5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde (PubChem CID 169334376) has the molecular formula C18H12Cl2O3 and a molecular weight of 347.20 g/mol. Its IUPAC name is 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde.

Molecular Properties

Compound Name5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde
PubChem CID169334376
Molecular FormulaC18H12Cl2O3
Molecular Weight347.20 g/mol
Exact Mass346.02
IUPAC Name5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1
InChIInChI=1S/C18H12Cl2O3/c19-14-4-1-13(17(20)9-14)11-22-15-5-2-12(3-6-15)18-8-7-16(10-21)23-18/h1-10H,11H2
InChIKeyROROFOYYEPZXQY-UHFFFAOYSA-N
XLogP5.64
TPSA39.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.20
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-4-[(2,4-dichlorophenyl)methoxy]benzamide
CID 51061806
2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde
CID 4767083
4-[(2,4-dichlorophenyl)methoxy]aniline
CID 11579870
(4-chlorophenyl)-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanone
CID 3914147
1-[(4-tert-butylphenoxy)methyl]-2,4-dichlorobenzene
CID 60627955
1-(4-chlorophenyl)-N-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 3137142
N-[(E)-[5-(4-bromophenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657477
N-[(E)-[5-(4-acetylphenyl)furan-2-yl]methylideneamino]-2-[(2,4-dichlorophenyl)methoxy]benzamide
CID 19657640
5-[(E)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]-1,3,4-oxadiazol-2-amine
CID 91685450
N-(5-chloro-2-methylphenyl)-1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]methanimine
CID 126217320
5-[3-chloro-4-(cyclopropylmethoxy)phenyl]furan-2-carbaldehyde
CID 169335433
1-[4-[(2,4-dichlorophenyl)methoxy]phenyl]-N-(1,2,4-triazol-4-yl)methanimine
CID 872664

Frequently Asked Questions

What is the IUPAC name of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde?
The IUPAC name of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde (CID 169334376) is 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde.
What is the SMILES notation for 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde?
The canonical SMILES for 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde is O=Cc1ccc(-c2ccc(OCc3ccc(Cl)cc3Cl)cc2)o1.
What is the InChIKey of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde?
The InChIKey is ROROFOYYEPZXQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2O3/c19-14-4-1-13(17(20)9-14)11-22-15-5-2-12(3-6-15)18-8-7-16(10-21)23-18/h1-10H,11H2.
What are the key properties of 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde?
5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde has a molecular weight of 347.20 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[(2,4-dichlorophenyl)methoxy]phenyl]furan-2-carbaldehyde is sourced from PubChem (CID 169334376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).