2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene

C14H11BrClFO — CID 65434828

IUPAC2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene
SMILESCOc1cccc(F)c1C(Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrClFO/c1-18-12-4-2-3-11(17)13(12)14(16)9-5-7-10(15)8-6-9/h2-8,14H,1H3
InChIKeyZQAQDRIOKQWLAB-UHFFFAOYSA-N
MW329.60 g/mol
LogP4.93
Rot. Bonds3

About 2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene

2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene (PubChem CID 65434828) has the molecular formula C14H11BrClFO and a molecular weight of 329.60 g/mol. Its IUPAC name is 2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene.

Molecular Properties

Compound Name2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene
PubChem CID65434828
Molecular FormulaC14H11BrClFO
Molecular Weight329.60 g/mol
Exact Mass327.97
IUPAC Name2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene
SMILESCOc1cccc(F)c1C(Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H11BrClFO/c1-18-12-4-2-3-11(17)13(12)14(16)9-5-7-10(15)8-6-9/h2-8,14H,1H3
InChIKeyZQAQDRIOKQWLAB-UHFFFAOYSA-N
XLogP4.93
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 ≤ 54.93
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-(3,4-dimethoxyphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65431934
2-bromo-4-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-1-ethoxybenzene
CID 104661629
2-[chloro-(3,4-dimethoxyphenyl)methyl]-1,3-difluorobenzene
CID 61081731
1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene
CID 63428712
2-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-4-fluoro-1-methoxybenzene
CID 65434058
2-bromo-3-chloro-5-[chloro-(2-fluoro-6-methoxyphenyl)methyl]thiophene
CID 80533282
2-[bromo-(4-propan-2-ylphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65432906
(3-bromo-4-fluorophenyl)-(2-fluoro-6-methoxyphenyl)methanol
CID 79746374
1-[chloro-(2-fluoro-6-methoxyphenyl)methyl]-2,4-dimethylbenzene
CID 65432513
(4-bromophenyl)-(2,6-difluorophenyl)methanol
CID 61100872
(2,5-dibromophenyl)-(2-fluoro-6-methoxyphenyl)methanamine
CID 65433424
2-[bromo-(4-propan-2-yloxyphenyl)methyl]-1-fluoro-3-methoxybenzene
CID 65431941

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene?
The IUPAC name of 2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene (CID 65434828) is 2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene.
What is the SMILES notation for 2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene?
The canonical SMILES for 2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene is COc1cccc(F)c1C(Cl)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene?
The InChIKey is ZQAQDRIOKQWLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrClFO/c1-18-12-4-2-3-11(17)13(12)14(16)9-5-7-10(15)8-6-9/h2-8,14H,1H3.
What are the key properties of 2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene?
2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene has a molecular weight of 329.60 g/mol, XLogP of 4.93, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene is sourced from PubChem (CID 65434828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).