2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene

C16H15BrClFO — CID 104661476

IUPAC2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene
SMILESCCOc1ccc(C(Cl)c2cc(C)ccc2F)cc1Br
InChIInChI=1S/C16H15BrClFO/c1-3-20-15-7-5-11(9-13(15)17)16(18)12-8-10(2)4-6-14(12)19/h4-9,16H,3H2,1-2H3
InChIKeyMUHGBYNBMAGDRL-UHFFFAOYSA-N
MW357.65 g/mol
LogP5.62
Rot. Bonds4

About 2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene

2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene (PubChem CID 104661476) has the molecular formula C16H15BrClFO and a molecular weight of 357.65 g/mol. Its IUPAC name is 2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene
PubChem CID104661476
Molecular FormulaC16H15BrClFO
Molecular Weight357.65 g/mol
Exact Mass356.00
IUPAC Name2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene
SMILESCCOc1ccc(C(Cl)c2cc(C)ccc2F)cc1Br
InChIInChI=1S/C16H15BrClFO/c1-3-20-15-7-5-11(9-13(15)17)16(18)12-8-10(2)4-6-14(12)19/h4-9,16H,3H2,1-2H3
InChIKeyMUHGBYNBMAGDRL-UHFFFAOYSA-N
XLogP5.62
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.65
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-[chloro-(2-ethoxy-5-methylphenyl)methyl]-1-fluorobenzene
CID 82879816
2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene
CID 104661595
1-(3-bromo-4-fluorophenyl)-1-(2-ethoxy-5-methylphenyl)-N-methylmethanamine
CID 107950559
1-[(3-bromo-4-propoxyphenyl)-chloromethyl]-4-chloro-2-fluorobenzene
CID 104662002
2-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene
CID 104661483
1-[(3-bromo-4-ethoxyphenyl)-chloromethyl]-2-chloro-3-methylbenzene
CID 104661490
2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
CID 104661534
1-bromo-2-[(3-bromo-4-methoxyphenyl)-chloromethyl]-4-methylbenzene
CID 81111868
2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene
CID 104661629
2-bromo-1-ethoxy-4-methylbenzene;ethane
CID 143442482
1-bromo-4-[(5-bromo-2-ethoxyphenyl)-chloromethyl]-2-fluorobenzene
CID 63434564
1-[(3-bromo-4-propoxyphenyl)-chloromethyl]-2,4-difluorobenzene
CID 104661943

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene?
The IUPAC name of 2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene (CID 104661476) is 2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene.
What is the SMILES notation for 2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene?
The canonical SMILES for 2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene is CCOc1ccc(C(Cl)c2cc(C)ccc2F)cc1Br.
What is the InChIKey of 2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene?
The InChIKey is MUHGBYNBMAGDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrClFO/c1-3-20-15-7-5-11(9-13(15)17)16(18)12-8-10(2)4-6-14(12)19/h4-9,16H,3H2,1-2H3.
What are the key properties of 2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene?
2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene has a molecular weight of 357.65 g/mol, XLogP of 5.62, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene is sourced from PubChem (CID 104661476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).