2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene

C15H14BrClO2 — CID 65126584

IUPAC2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
SMILESCOc1ccc(COCc2cccc(Cl)c2)cc1Br
InChIInChI=1S/C15H14BrClO2/c1-18-15-6-5-12(8-14(15)16)10-19-9-11-3-2-4-13(17)7-11/h2-8H,9-10H2,1H3
InChIKeySQFAWSFYFSXHBS-UHFFFAOYSA-N
MW341.63 g/mol
LogP4.83
Rot. Bonds5

About 2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene

2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene (PubChem CID 65126584) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
PubChem CID65126584
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene
SMILESCOc1ccc(COCc2cccc(Cl)c2)cc1Br
InChIInChI=1S/C15H14BrClO2/c1-18-15-6-5-12(8-14(15)16)10-19-9-11-3-2-4-13(17)7-11/h2-8H,9-10H2,1H3
InChIKeySQFAWSFYFSXHBS-UHFFFAOYSA-N
XLogP4.83
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-bromo-4-[(3-chlorophenyl)methoxymethyl]phenyl]-N-methylmethanamine
CID 102773716
2-bromo-4-[(2,6-dimethoxyphenoxy)methyl]-1-methoxybenzene
CID 60673478
3-[(3-chlorophenyl)methoxymethyl]-4-methoxybenzaldehyde
CID 65126517
2-bromo-4-[3-chloro-2-(3-chlorophenyl)propyl]-1-methoxybenzene
CID 79432256
2-bromo-4-chloro-1-methoxybenzene
CID 140982994
2-bromo-4-(2,2-difluoroethoxymethyl)-1-methoxybenzene
CID 82006553
2-[(3-bromo-4-methoxyphenyl)methoxy]-4-chlorobenzoic acid
CID 45286799
2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
CID 63535495
2-bromo-4-[[2-(chloromethyl)-6-methylphenoxy]methyl]-1-methoxybenzene
CID 115956472
1-chloro-3-[(4-iodophenyl)methoxymethyl]benzene
CID 65490546
[4-[(3-chlorophenyl)methoxymethyl]phenyl]-trimethylsilane
CID 103438691
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene?
The IUPAC name of 2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene (CID 65126584) is 2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene is COc1ccc(COCc2cccc(Cl)c2)cc1Br.
What is the InChIKey of 2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene?
The InChIKey is SQFAWSFYFSXHBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-18-15-6-5-12(8-14(15)16)10-19-9-11-3-2-4-13(17)7-11/h2-8H,9-10H2,1H3.
What are the key properties of 2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene?
2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene has a molecular weight of 341.63 g/mol, XLogP of 4.83, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[(3-chlorophenyl)methoxymethyl]-1-methoxybenzene is sourced from PubChem (CID 65126584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).