2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde

C15H12ClFO3 — CID 115886848

IUPAC2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(OCc2cccc(F)c2Cl)c1
InChIInChI=1S/C15H12ClFO3/c1-19-12-6-5-10(8-18)14(7-12)20-9-11-3-2-4-13(17)15(11)16/h2-8H,9H2,1H3
InChIKeyQULIATPYRFTBDE-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.88
Rot. Bonds5

About 2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde

2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde (PubChem CID 115886848) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde
PubChem CID115886848
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde
SMILESCOc1ccc(C=O)c(OCc2cccc(F)c2Cl)c1
InChIInChI=1S/C15H12ClFO3/c1-19-12-6-5-10(8-18)14(7-12)20-9-11-3-2-4-13(17)15(11)16/h2-8H,9H2,1H3
InChIKeyQULIATPYRFTBDE-UHFFFAOYSA-N
XLogP3.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.71
LogP ≤ 53.88
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

5-chloro-2-[(2-chloro-3-fluorophenyl)methoxy]benzaldehyde
CID 112652333
potassium [2-[(2-chloro-3-fluorophenyl)methoxy]-5-methoxyphenyl]-trifluoroboranuide
CID 113443488
4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde
CID 11289413
4-fluoro-2-[(2-fluorophenyl)methoxy]benzaldehyde
CID 91658405
3-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 102876870
3-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxyaniline
CID 112651662
2-[2-(4-fluorophenoxy)ethoxy]-4-methoxybenzaldehyde
CID 20984228
2-(imidazo[1,5-a]pyridin-8-ylmethoxy)-4-methoxybenzaldehyde
CID 71621614
2,4-bis[(2,4-dichlorophenyl)methoxy]benzaldehyde
CID 4767083
2-[(2,5-dichlorophenyl)methoxy]-5-methoxybenzaldehyde
CID 65317291
2-[(5-chloro-1-methylimidazol-2-yl)methoxy]-4-methoxybenzaldehyde
CID 60753223
1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene
CID 107284217

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde?
The IUPAC name of 2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde (CID 115886848) is 2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde.
What is the SMILES notation for 2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde?
The canonical SMILES for 2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde is COc1ccc(C=O)c(OCc2cccc(F)c2Cl)c1.
What is the InChIKey of 2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde?
The InChIKey is QULIATPYRFTBDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-19-12-6-5-10(8-18)14(7-12)20-9-11-3-2-4-13(17)15(11)16/h2-8H,9H2,1H3.
What are the key properties of 2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde?
2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde has a molecular weight of 294.71 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde is sourced from PubChem (CID 115886848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).