1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene

C15H13BrClFO — CID 63430104

IUPAC1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene
SMILESCOc1ccc(C(Cl)c2ccc(Br)c(F)c2)c(C)c1
InChIInChI=1S/C15H13BrClFO/c1-9-7-11(19-2)4-5-12(9)15(17)10-3-6-13(16)14(18)8-10/h3-8,15H,1-2H3
InChIKeyGFLWHFRSZJURFP-UHFFFAOYSA-N
MW343.62 g/mol
LogP5.23
Rot. Bonds3

About 1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene

1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene (PubChem CID 63430104) has the molecular formula C15H13BrClFO and a molecular weight of 343.62 g/mol. Its IUPAC name is 1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene.

Molecular Properties

Compound Name1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene
PubChem CID63430104
Molecular FormulaC15H13BrClFO
Molecular Weight343.62 g/mol
Exact Mass341.98
IUPAC Name1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene
SMILESCOc1ccc(C(Cl)c2ccc(Br)c(F)c2)c(C)c1
InChIInChI=1S/C15H13BrClFO/c1-9-7-11(19-2)4-5-12(9)15(17)10-3-6-13(16)14(18)8-10/h3-8,15H,1-2H3
InChIKeyGFLWHFRSZJURFP-UHFFFAOYSA-N
XLogP5.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.62
LogP ≤ 55.23
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

5-[chloro-(4-methoxy-2-methylphenyl)methyl]-1,2,3-trifluorobenzene
CID 63186404
1-[(4-bromo-3-fluorophenyl)-chloromethyl]-2-fluoro-4,5-dimethoxybenzene
CID 63447592
1,4-dibromo-2-[(4-bromo-3-fluorophenyl)-chloromethyl]-5-methylbenzene
CID 81474193
1-[chloro-(3-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63430237
2-chloro-1-[chloro-(3,4-difluorophenyl)methyl]-4-methoxybenzene
CID 63434674
5-[chloro-(4-methoxy-2-methylphenyl)methyl]-2,3-dihydro-1H-indene
CID 63430106
1-[chloro-(3-propan-2-yloxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63430154
1-bromo-5-[(3-bromo-4-fluorophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 107958956
2-bromo-1-[chloro-(2-fluoro-5-methylphenyl)methyl]-4-methoxybenzene
CID 55198729
2-[(4-bromo-2-methylphenyl)-chloromethyl]-1,3-difluoro-5-methoxybenzene
CID 63427678
1-[chloro-(3,4-difluorophenyl)methyl]-4,5-dimethoxy-2-methylbenzene
CID 61085061
1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 81284508

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene?
The IUPAC name of 1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene (CID 63430104) is 1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene.
What is the SMILES notation for 1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene?
The canonical SMILES for 1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene is COc1ccc(C(Cl)c2ccc(Br)c(F)c2)c(C)c1.
What is the InChIKey of 1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene?
The InChIKey is GFLWHFRSZJURFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClFO/c1-9-7-11(19-2)4-5-12(9)15(17)10-3-6-13(16)14(18)8-10/h3-8,15H,1-2H3.
What are the key properties of 1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene?
1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene has a molecular weight of 343.62 g/mol, XLogP of 5.23, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-4-[chloro-(4-methoxy-2-methylphenyl)methyl]-2-fluorobenzene is sourced from PubChem (CID 63430104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).