4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene

C14H11BrClFO — CID 81285176

IUPAC4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene
SMILESCOc1cc(C(Br)c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C14H11BrClFO/c1-18-13-8-10(4-7-12(13)17)14(15)9-2-5-11(16)6-3-9/h2-8,14H,1H3
InChIKeyMZTFZFTVWWYLIF-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.97
Rot. Bonds3

About 4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene

4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene (PubChem CID 81285176) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene.

Molecular Properties

Compound Name4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene
PubChem CID81285176
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene
SMILESCOc1cc(C(Br)c2ccc(Cl)cc2)ccc1F
InChIInChI=1S/C14H11BrClFO/c1-18-13-8-10(4-7-12(13)17)14(15)9-2-5-11(16)6-3-9/h2-8,14H,1H3
InChIKeyMZTFZFTVWWYLIF-UHFFFAOYSA-N
XLogP4.97
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.60
LogP ≤ 54.97
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

4-[bromo-[4-(2-methoxyethyl)phenyl]methyl]-1-fluoro-2-methoxybenzene
CID 81289235
4-[bromo-(4-butylphenyl)methyl]-1-fluoro-2-methoxybenzene
CID 81289241
4-[bromo-(3-chloro-4-fluorophenyl)methyl]-1-methoxy-2-methylbenzene
CID 82878606
4-[bromo-(3,4-difluorophenyl)methyl]-2-methoxy-1-methylbenzene
CID 63439681
1-[bromo-(3,4-dimethoxyphenyl)methyl]-2-chloro-4,5-difluorobenzene
CID 107477519
5-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-2,3-dihydro-1-benzofuran
CID 81284360
1-[bromo-(4-chlorophenyl)methyl]-3-methoxybenzene
CID 63437203
4-[bromo-(4-methoxyphenyl)methyl]-2-fluoro-1-methoxybenzene
CID 61097600
5-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-2-methyl-2,3-dihydro-1-benzofuran
CID 81289246
1-[bromo-(3-bromo-4-fluorophenyl)methyl]-2-chloro-4,5-dimethoxybenzene
CID 107958779
1-bromo-3-[bromo-(3-fluoro-4-methoxyphenyl)methyl]-5-chlorobenzene
CID 107958819
1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 81284508

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene?
The IUPAC name of 4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene (CID 81285176) is 4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene.
What is the SMILES notation for 4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene?
The canonical SMILES for 4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene is COc1cc(C(Br)c2ccc(Cl)cc2)ccc1F.
What is the InChIKey of 4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene?
The InChIKey is MZTFZFTVWWYLIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c1-18-13-8-10(4-7-12(13)17)14(15)9-2-5-11(16)6-3-9/h2-8,14H,1H3.
What are the key properties of 4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene?
4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene has a molecular weight of 329.60 g/mol, XLogP of 4.97, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(4-chlorophenyl)methyl]-1-fluoro-2-methoxybenzene is sourced from PubChem (CID 81285176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).