2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene

C15H13BrClFO — CID 104661595

IUPAC2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene
SMILESCCOc1ccc(C(Cl)c2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H13BrClFO/c1-2-19-14-8-5-11(9-13(14)16)15(17)10-3-6-12(18)7-4-10/h3-9,15H,2H2,1H3
InChIKeyZAXIXROWOCCEEE-UHFFFAOYSA-N
MW343.62 g/mol
LogP5.32
Rot. Bonds4

About 2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene

2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene (PubChem CID 104661595) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene
PubChem CID104661595
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene
SMILESCCOc1ccc(C(Cl)c2ccc(F)cc2)cc1Br
InChIInChI=1S/C15H13BrClFO/c1-2-19-14-8-5-11(9-13(14)16)15(17)10-3-6-12(18)7-4-10/h3-9,15H,2H2,1H3
InChIKeyZAXIXROWOCCEEE-UHFFFAOYSA-N
XLogP5.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.62
LogP ≤ 55.32
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-bromo-4-[chloro-(3-chlorophenyl)methyl]-1-ethoxybenzene
CID 104661483
2-bromo-4-[chloro-(2-fluoro-5-methylphenyl)methyl]-1-ethoxybenzene
CID 104661476
2-bromo-4-(1-chloroethyl)-1-ethoxybenzene
CID 104661534
2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene
CID 104661629
1-[(3-bromo-4-propoxyphenyl)-chloromethyl]-2,4-difluorobenzene
CID 104661943
(3-bromo-4-ethoxyphenyl)-(2-bromo-5-fluorophenyl)methanamine
CID 104657309
2-bromo-4-(1-chlorobutyl)-1-ethoxybenzene
CID 104661505
(3-bromo-4-propoxyphenyl)-(4-fluorophenyl)methanol
CID 104661170
2-bromo-4-[1-chloro-3,3,3-trifluoro-2-(trifluoromethyl)propyl]-1-ethoxybenzene
CID 103310796
(3-bromo-4-ethoxyphenyl)-(2,4-difluorophenyl)methanamine
CID 104657273
2-bromo-4-(1-bromoethyl)-1-ethoxybenzene
CID 104661738
1-[(3-bromo-4-ethoxyphenyl)-chloromethyl]-2-chloro-3-methylbenzene
CID 104661490

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene?
The IUPAC name of 2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene (CID 104661595) is 2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene.
What is the SMILES notation for 2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene?
The canonical SMILES for 2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene is CCOc1ccc(C(Cl)c2ccc(F)cc2)cc1Br.
What is the InChIKey of 2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene?
The InChIKey is ZAXIXROWOCCEEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-2-19-14-8-5-11(9-13(14)16)15(17)10-3-6-12(18)7-4-10/h3-9,15H,2H2,1H3.
What are the key properties of 2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene?
2-bromo-4-[chloro-(4-fluorophenyl)methyl]-1-ethoxybenzene has a molecular weight of 343.62 g/mol, XLogP of 5.32, 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-(4-fluorophenyl)methyl]-1-ethoxybenzene is sourced from PubChem (CID 104661595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).