6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde

C15H11BrClFO3 — CID 66529281

IUPAC6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde
SMILESCOc1ccc(Br)c(C=O)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C15H11BrClFO3/c1-20-14-6-5-11(16)9(7-19)15(14)21-8-10-12(17)3-2-4-13(10)18/h2-7H,8H2,1H3
InChIKeyLVJOKAHRSINTHC-UHFFFAOYSA-N
MW373.61 g/mol
LogP4.64
Rot. Bonds5

About 6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde

6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde (PubChem CID 66529281) has the molecular formula C15H11BrClFO3 and a molecular weight of 373.61 g/mol. Its IUPAC name is 6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde.

Molecular Properties

Compound Name6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde
PubChem CID66529281
Molecular FormulaC15H11BrClFO3
Molecular Weight373.61 g/mol
Exact Mass371.96
IUPAC Name6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde
SMILESCOc1ccc(Br)c(C=O)c1OCc1c(F)cccc1Cl
InChIInChI=1S/C15H11BrClFO3/c1-20-14-6-5-11(16)9(7-19)15(14)21-8-10-12(17)3-2-4-13(10)18/h2-7H,8H2,1H3
InChIKeyLVJOKAHRSINTHC-UHFFFAOYSA-N
XLogP4.64
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 54.64
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

6-bromo-2-[(2-chlorophenyl)methoxy]-3-methoxybenzaldehyde
CID 66528864
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]propan-2-amine
CID 66537107
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]pentan-1-amine
CID 66536502
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3-methoxypropan-1-amine
CID 66536988
4-[[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]methyl]benzoic acid
CID 66537037
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]cycloheptanamine
CID 66537056
N-[4-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylamino]phenyl]acetamide
CID 66543586
2-bromo-1-[(2-chloro-6-fluorophenyl)methoxy]-4-methoxybenzene
CID 104707422
4-[(2-chloro-6-fluorophenyl)methoxy]-2-methoxybenzaldehyde
CID 11289413
6-bromo-3-methoxy-2-propoxybenzaldehyde
CID 66529298
N-[[6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine
CID 66536600
N-[(E)-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-N-methylmethanamine
CID 110340270

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde?
The IUPAC name of 6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde (CID 66529281) is 6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde.
What is the SMILES notation for 6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde?
The canonical SMILES for 6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde is COc1ccc(Br)c(C=O)c1OCc1c(F)cccc1Cl.
What is the InChIKey of 6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde?
The InChIKey is LVJOKAHRSINTHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFO3/c1-20-14-6-5-11(16)9(7-19)15(14)21-8-10-12(17)3-2-4-13(10)18/h2-7H,8H2,1H3.
What are the key properties of 6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde?
6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde has a molecular weight of 373.61 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxybenzaldehyde is sourced from PubChem (CID 66529281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).