4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde

C15H12ClFO3 — CID 11289413

IUPAC4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde
SMILESCOc1cc(OCc2c(F)cccc2Cl)ccc1C=O
InChIInChI=1S/C15H12ClFO3/c1-19-15-7-11(6-5-10(15)8-18)20-9-12-13(16)3-2-4-14(12)17/h2-8H,9H2,1H3
InChIKeyXHGYXXVOUIDRBQ-UHFFFAOYSA-N
MW294.71 g/mol
LogP3.88
Rot. Bonds5

About 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde

4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde (PubChem CID 11289413) has the molecular formula C15H12ClFO3 and a molecular weight of 294.71 g/mol. Its IUPAC name is 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde.

Molecular Properties

Compound Name4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde
PubChem CID11289413
Molecular FormulaC15H12ClFO3
Molecular Weight294.71 g/mol
Exact Mass294.05
IUPAC Name4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde
SMILESCOc1cc(OCc2c(F)cccc2Cl)ccc1C=O
InChIInChI=1S/C15H12ClFO3/c1-19-15-7-11(6-5-10(15)8-18)20-9-12-13(16)3-2-4-14(12)17/h2-8H,9H2,1H3
InChIKeyXHGYXXVOUIDRBQ-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

N-[5-[(2-chloro-6-fluorophenyl)methoxy]-2-formylphenyl]-3-methoxy-4-methylbenzenesulfonamide
CID 123193467
2-[(2-chloro-3-fluorophenyl)methoxy]-4-methoxybenzaldehyde
CID 115886848
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422
1-chloro-3-fluoro-2-[(3-methylphenoxy)methyl]benzene
CID 60627894
6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66529281
5-[(2-chloro-6-fluorophenyl)methoxy]-2-methylaniline
CID 39365275
3-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxyaniline
CID 61496182
2-(bromomethyl)-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 63535348
7-[(2-chloro-6-fluorophenyl)methoxy]-1-(4-fluoro-3-methoxyphenyl)sulfonyl-3,4-dihydro-2H-quinoline
CID 118343214
2-chloro-4-[(2-chloro-6-fluorophenyl)methoxy]benzenecarbothioamide
CID 102724350
1-chloro-2-[[5-(chloromethyl)-2-methoxyphenoxy]methyl]-3-fluorobenzene
CID 61496156
3-chloro-2-[(2-fluoro-4-methoxyphenyl)methoxy]benzaldehyde
CID 102876870

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde?
The IUPAC name of 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde (CID 11289413) is 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde.
What is the SMILES notation for 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde?
The canonical SMILES for 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde is COc1cc(OCc2c(F)cccc2Cl)ccc1C=O.
What is the InChIKey of 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde?
The InChIKey is XHGYXXVOUIDRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3/c1-19-15-7-11(6-5-10(15)8-18)20-9-12-13(16)3-2-4-14(12)17/h2-8H,9H2,1H3.
What are the key properties of 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde?
4-[(2-chloro-6-fluorophenyl)methoxy]-2-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 4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde is sourced from PubChem (CID 11289413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).