2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene

C16H15BrClFO2 — CID 104661629

IUPAC2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene
SMILESCCOc1ccc(C(Cl)c2c(F)cccc2OC)cc1Br
InChIInChI=1S/C16H15BrClFO2/c1-3-21-13-8-7-10(9-11(13)17)16(18)15-12(19)5-4-6-14(15)20-2/h4-9,16H,3H2,1-2H3
InChIKeyUUKLMHUWHMSQDT-UHFFFAOYSA-N
MW373.65 g/mol
LogP5.32
Rot. Bonds5

About 2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene

2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene (PubChem CID 104661629) has the molecular formula C16H15BrClFO2 and a molecular weight of 373.65 g/mol. Its IUPAC name is 2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene
PubChem CID104661629
Molecular FormulaC16H15BrClFO2
Molecular Weight373.65 g/mol
Exact Mass371.99
IUPAC Name2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene
SMILESCCOc1ccc(C(Cl)c2c(F)cccc2OC)cc1Br
InChIInChI=1S/C16H15BrClFO2/c1-3-21-13-8-7-10(9-11(13)17)16(18)15-12(19)5-4-6-14(15)20-2/h4-9,16H,3H2,1-2H3
InChIKeyUUKLMHUWHMSQDT-UHFFFAOYSA-N
XLogP5.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.65
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[chloro-(3,4-dimethoxyphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65431934
2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene
CID 104661595
2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene
CID 65434828
2-bromo-4-[bromo-(2-chloro-6-fluorophenyl)methyl]-1-ethoxybenzene
CID 104661713
2-[chloro-(3,4-dimethoxyphenyl)methyl]-1,3-difluorobenzene
CID 61081731
2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene
CID 104661483
2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene
CID 104661476
2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-1,3,5-trifluorobenzene
CID 63429962
(3-bromo-4-ethoxyphenyl)-(3-bromo-4-methoxyphenyl)methanol
CID 104661023
2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 65434058
1-[(3-bromo-4-ethoxyphenyl)-chloromethyl]-2-chloro-3-methylbenzene
CID 104661490
(3-bromo-4-methoxyphenyl)-(2-chloro-6-fluorophenyl)methanol
CID 61100995

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene?
The IUPAC name of 2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene (CID 104661629) is 2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene.
What is the SMILES notation for 2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene?
The canonical SMILES for 2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene is CCOc1ccc(C(Cl)c2c(F)cccc2OC)cc1Br.
What is the InChIKey of 2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene?
The InChIKey is UUKLMHUWHMSQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClFO2/c1-3-21-13-8-7-10(9-11(13)17)16(18)15-12(19)5-4-6-14(15)20-2/h4-9,16H,3H2,1-2H3.
What are the key properties of 2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene?
2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene has a molecular weight of 373.65 g/mol, XLogP of 5.32, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene is sourced from PubChem (CID 104661629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).