4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde

C14H9Cl2FO3 — CID 90314663

IUPAC4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde
SMILESCOc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C=O
InChIInChI=1S/C14H9Cl2FO3/c1-19-14-5-9(17)2-3-12(14)20-13-6-11(16)10(15)4-8(13)7-18/h2-7H,1H3
InChIKeyHCEDIEFDQPIHPG-UHFFFAOYSA-N
MW315.13 g/mol
LogP4.75
Rot. Bonds4

About 4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde

4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde (PubChem CID 90314663) has the molecular formula C14H9Cl2FO3 and a molecular weight of 315.13 g/mol. Its IUPAC name is 4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde.

Molecular Properties

Compound Name4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde
PubChem CID90314663
Molecular FormulaC14H9Cl2FO3
Molecular Weight315.13 g/mol
Exact Mass313.99
IUPAC Name4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde
SMILESCOc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C=O
InChIInChI=1S/C14H9Cl2FO3/c1-19-14-5-9(17)2-3-12(14)20-13-6-11(16)10(15)4-8(13)7-18/h2-7H,1H3
InChIKeyHCEDIEFDQPIHPG-UHFFFAOYSA-N
XLogP4.75
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.13
LogP ≤ 54.75
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

4-fluoro-2-methoxybenzaldehyde
CID 2774537
4-(18F)fluoro-2-methoxy(18F)benzaldehyde
CID 14816736
5-(4-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 74891133
2-(3-chloro-2-fluorophenoxy)-5-fluorobenzaldehyde
CID 116689347
2-(2,5-difluorophenoxy)-5-fluorobenzaldehyde
CID 63269304
5-chloro-2-(2-methoxy-4-methylphenoxy)benzaldehyde
CID 114844661
4,5-dichloro-2-fluorobenzaldehyde;4,5-dichloro-2-[(2-methoxy-3-pyridinyl)oxy]benzaldehyde;2-methoxypyridin-3-ol
CID 160929997
5-(5-fluoro-2-methoxyphenyl)-2-methoxybenzaldehyde
CID 54910498
2-(2-bromo-4-methoxyphenoxy)-5-fluorobenzaldehyde
CID 104707930
3-chloro-4-(4-fluoro-2-methoxyphenoxy)benzonitrile
CID 11644815
2-(2,5-difluorophenoxy)-5-methylbenzaldehyde
CID 114054339
N-(4-carbamoylphenyl)-4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzamide
CID 137406676

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde?
The IUPAC name of 4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde (CID 90314663) is 4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde.
What is the SMILES notation for 4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde?
The canonical SMILES for 4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde is COc1cc(F)ccc1Oc1cc(Cl)c(Cl)cc1C=O.
What is the InChIKey of 4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde?
The InChIKey is HCEDIEFDQPIHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2FO3/c1-19-14-5-9(17)2-3-12(14)20-13-6-11(16)10(15)4-8(13)7-18/h2-7H,1H3.
What are the key properties of 4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde?
4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde has a molecular weight of 315.13 g/mol, XLogP of 4.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-(4-fluoro-2-methoxyphenoxy)benzaldehyde is sourced from PubChem (CID 90314663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).