1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene

C14H12BrClO — CID 63428712

IUPAC1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene
SMILESCOc1ccccc1C(Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClO/c1-17-13-5-3-2-4-12(13)14(16)10-6-8-11(15)9-7-10/h2-9,14H,1H3
InChIKeyNXAQXGLTBYEVGN-UHFFFAOYSA-N
MW311.61 g/mol
LogP4.79
Rot. Bonds3

About 1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene

1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene (PubChem CID 63428712) has the molecular formula C14H12BrClO and a molecular weight of 311.61 g/mol. Its IUPAC name is 1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene.

Molecular Properties

Compound Name1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene
PubChem CID63428712
Molecular FormulaC14H12BrClO
Molecular Weight311.61 g/mol
Exact Mass309.98
IUPAC Name1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene
SMILESCOc1ccccc1C(Cl)c1ccc(Br)cc1
InChIInChI=1S/C14H12BrClO/c1-17-13-5-3-2-4-12(13)14(16)10-6-8-11(15)9-7-10/h2-9,14H,1H3
InChIKeyNXAQXGLTBYEVGN-UHFFFAOYSA-N
XLogP4.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.61
LogP ≤ 54.79
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-[(4-bromophenyl)-chloromethyl]-4-chloro-1-methoxybenzene
CID 63428998
1-bromo-2-[chloro-(4-methoxyphenyl)methyl]benzene
CID 63428732
1-bromo-2-[(4-bromophenyl)-chloromethyl]-4,5-dimethoxybenzene
CID 63432397
1-[(4-bromophenyl)-chloromethyl]-2-chloro-4,5-dimethoxybenzene
CID 63432950
1-bromo-4-[(4-bromophenyl)-chloromethyl]-2,5-dimethoxybenzene
CID 105057222
4-bromo-1-[(4-tert-butylphenyl)-chloromethyl]-2-methoxybenzene
CID 115369813
1-bromo-2-[chloro-(2-methoxyphenyl)methyl]-4,5-dimethoxybenzene
CID 61084783
1-bromo-4-[1-(2-methoxyphenyl)butyl]benzene
CID 58302960
4-bromo-2-[chloro-(3,4-dimethylphenyl)methyl]-1-methoxybenzene
CID 63427655
1-bromo-5-[(4-bromophenyl)-chloromethyl]-4-methoxy-2-methylbenzene
CID 65433369
4-bromo-1-[chloro-(3,4-dimethylphenyl)methyl]-2-methoxybenzene
CID 115369785
2-[(4-bromophenyl)-chloromethyl]-1-fluoro-3-methoxybenzene
CID 65434828

Frequently Asked Questions

What is the IUPAC name of 1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene?
The IUPAC name of 1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene (CID 63428712) is 1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene.
What is the SMILES notation for 1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene?
The canonical SMILES for 1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene is COc1ccccc1C(Cl)c1ccc(Br)cc1.
What is the InChIKey of 1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene?
The InChIKey is NXAQXGLTBYEVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO/c1-17-13-5-3-2-4-12(13)14(16)10-6-8-11(15)9-7-10/h2-9,14H,1H3.
What are the key properties of 1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene?
1-bromo-4-[chloro-(2-methoxyphenyl)methyl]benzene has a molecular weight of 311.61 g/mol, XLogP of 4.79, 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-(2-methoxyphenyl)methyl]benzene is sourced from PubChem (CID 63428712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).