2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene

C15H14BrClO2 — CID 107284239

IUPAC2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1COc1cc(Br)ccc1C
InChIInChI=1S/C15H14BrClO2/c1-10-3-4-12(16)8-15(10)19-9-11-7-13(17)5-6-14(11)18-2/h3-8H,9H2,1-2H3
InChIKeyLSSQQVLJUZWCDV-UHFFFAOYSA-N
MW341.63 g/mol
LogP5.00
Rot. Bonds4

About 2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene

2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene (PubChem CID 107284239) has the molecular formula C15H14BrClO2 and a molecular weight of 341.63 g/mol. Its IUPAC name is 2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene.

Molecular Properties

Compound Name2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene
PubChem CID107284239
Molecular FormulaC15H14BrClO2
Molecular Weight341.63 g/mol
Exact Mass339.99
IUPAC Name2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1COc1cc(Br)ccc1C
InChIInChI=1S/C15H14BrClO2/c1-10-3-4-12(16)8-15(10)19-9-11-7-13(17)5-6-14(11)18-2/h3-8H,9H2,1-2H3
InChIKeyLSSQQVLJUZWCDV-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.63
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(5-bromo-2-methylphenoxy)methyl]-4-methoxybenzonitrile
CID 107283826
3-[(5-chloro-2-methoxyphenyl)methoxy]-4-methylbenzenecarboximidamide
CID 107657180
5-[(5-bromo-2-methoxyphenyl)methoxy]-2-chloro-1,3-dimethylbenzene
CID 63458388
1-[5-chloro-2-[(5-chloro-2-methoxyphenyl)methoxy]phenyl]-N-methylmethanamine
CID 43646631
2-[(4-bromo-2-methylphenoxy)methyl]-4-chloroaniline
CID 79582431
4-bromo-2-[(3-chlorophenyl)methoxy]-1-methylbenzene
CID 107284184
1-[(5-bromo-2-methylphenoxy)methyl]-2-chloro-3-fluorobenzene
CID 107284217
2-[(5-bromo-2-methoxyphenyl)methoxy]-1,4-difluorobenzene
CID 63458235
1-[(5-bromo-2-methoxyphenyl)methoxy]-2,3,5-trimethylbenzene
CID 63457710
2-bromo-4-[(5-bromo-2-methoxyphenyl)methoxy]-1-fluorobenzene
CID 83233054
[4-[(5-chloro-2-methoxyphenyl)methoxy]-3-methylphenyl]boronic acid
CID 63217158
2-[(5-chloro-2-methoxyphenyl)methoxy]-5-methylbenzoic acid
CID 60711590

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene?
The IUPAC name of 2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene (CID 107284239) is 2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene.
What is the SMILES notation for 2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene?
The canonical SMILES for 2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene is COc1ccc(Cl)cc1COc1cc(Br)ccc1C.
What is the InChIKey of 2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene?
The InChIKey is LSSQQVLJUZWCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrClO2/c1-10-3-4-12(16)8-15(10)19-9-11-7-13(17)5-6-14(11)18-2/h3-8H,9H2,1-2H3.
What are the key properties of 2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene?
2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene has a molecular weight of 341.63 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methylphenoxy)methyl]-4-chloro-1-methoxybenzene is sourced from PubChem (CID 107284239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).