4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene

C15H14BrClO — CID 63439421

IUPAC4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene
SMILESCOc1ccc(C(Br)c2cccc(C)c2)cc1Cl
InChIInChI=1S/C15H14BrClO/c1-10-4-3-5-11(8-10)15(16)12-6-7-14(18-2)13(17)9-12/h3-9,15H,1-2H3
InChIKeyFSAOXSZLFWRVNG-UHFFFAOYSA-N
MW325.63 g/mol
LogP5.14
Rot. Bonds3

About 4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene

4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene (PubChem CID 63439421) has the molecular formula C15H14BrClO and a molecular weight of 325.63 g/mol. Its IUPAC name is 4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene.

Molecular Properties

Compound Name4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene
PubChem CID63439421
Molecular FormulaC15H14BrClO
Molecular Weight325.63 g/mol
Exact Mass323.99
IUPAC Name4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene
SMILESCOc1ccc(C(Br)c2cccc(C)c2)cc1Cl
InChIInChI=1S/C15H14BrClO/c1-10-4-3-5-11(8-10)15(16)12-6-7-14(18-2)13(17)9-12/h3-9,15H,1-2H3
InChIKeyFSAOXSZLFWRVNG-UHFFFAOYSA-N
XLogP5.14
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500325.63
LogP ≤ 55.14
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

1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,3-dichlorobenzene
CID 63439370
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-fluoro-3-methylbenzene
CID 81477672
3-chloro-4-methoxy-N-[1-(3-methylphenyl)ethyl]aniline
CID 43758115
4-[chloro-(3-methylphenyl)methyl]-1-methoxy-2-methylbenzene
CID 63434579
4-[bromo-(3-chloro-4-methylphenyl)methyl]-1,2-dimethoxybenzene
CID 63439339
1-bromo-4-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-fluorobenzene
CID 63439016
4-(1-bromo-2,2-difluoroethyl)-2-chloro-1-methoxybenzene
CID 103514473
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-4-chloro-1-methoxybenzene
CID 63439018
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methylbenzene
CID 63439369
2-[bromo-(3-chloro-4-methoxyphenyl)methyl]-5-methylthiophene
CID 63439323
1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2,4-dichlorobenzene
CID 55197592
4-bromo-1-[bromo-(3-chloro-4-methoxyphenyl)methyl]-2-methoxybenzene
CID 115369844

Frequently Asked Questions

What is the IUPAC name of 4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene?
The IUPAC name of 4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene (CID 63439421) is 4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene.
What is the SMILES notation for 4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene?
The canonical SMILES for 4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene is COc1ccc(C(Br)c2cccc(C)c2)cc1Cl.
What is the InChIKey of 4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene?
The InChIKey is FSAOXSZLFWRVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO/c1-10-4-3-5-11(8-10)15(16)12-6-7-14(18-2)13(17)9-12/h3-9,15H,1-2H3.
What are the key properties of 4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene?
4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene has a molecular weight of 325.63 g/mol, XLogP of 5.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[bromo-(3-methylphenyl)methyl]-2-chloro-1-methoxybenzene is sourced from PubChem (CID 63439421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).