2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene

C14H12BrClO2 — CID 104708026

IUPAC2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene
SMILESCOc1ccc(Oc2ccccc2CCl)c(Br)c1
InChIInChI=1S/C14H12BrClO2/c1-17-11-6-7-14(12(15)8-11)18-13-5-3-2-4-10(13)9-16/h2-8H,9H2,1H3
InChIKeyLTHOWRJTNDLDRU-UHFFFAOYSA-N
MW327.61 g/mol
LogP4.99
Rot. Bonds4

About 2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene

2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene (PubChem CID 104708026) has the molecular formula C14H12BrClO2 and a molecular weight of 327.61 g/mol. Its IUPAC name is 2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene.

Molecular Properties

Compound Name2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene
PubChem CID104708026
Molecular FormulaC14H12BrClO2
Molecular Weight327.61 g/mol
Exact Mass325.97
IUPAC Name2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene
SMILESCOc1ccc(Oc2ccccc2CCl)c(Br)c1
InChIInChI=1S/C14H12BrClO2/c1-17-11-6-7-14(12(15)8-11)18-13-5-3-2-4-10(13)9-16/h2-8H,9H2,1H3
InChIKeyLTHOWRJTNDLDRU-UHFFFAOYSA-N
XLogP4.99
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.61
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-bromo-4-chloro-1-[2-(chloromethyl)phenoxy]benzene
CID 28947283
2-bromo-1-(chloromethyl)-4-methoxybenzene
CID 18624207
[2-bromo-6-(2-bromo-4-methoxyphenoxy)phenyl]methanamine
CID 114880011
2-bromo-4-[[2-(chloromethyl)phenoxy]methyl]-1-methoxybenzene
CID 63535495
1-[4-bromo-2-(chloromethyl)phenoxy]-3,5-dimethoxybenzene
CID 20631724
2-(chloromethyl)-1-[(2-chlorophenyl)methoxy]-4-methoxybenzene
CID 43268073
1-[2-(2-bromo-4-methoxyphenoxy)-6-chlorophenyl]-N-methylmethanamine
CID 104708094
4-bromo-1-(chloromethyl)-2-(2-ethylphenoxy)benzene
CID 43365212
1,3-bis[2-(chloromethyl)phenoxy]benzene
CID 19038526
1-[2-(2-bromo-4-methoxyphenoxy)phenyl]-N-methylethanamine
CID 104707855
1-chloro-4-[2-(chloromethyl)phenoxy]benzene;ethane
CID 143444717
2,4-dibromo-1-[4-chloro-2-(chloromethyl)phenoxy]benzene
CID 114847129

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene?
The IUPAC name of 2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene (CID 104708026) is 2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene.
What is the SMILES notation for 2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene?
The canonical SMILES for 2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene is COc1ccc(Oc2ccccc2CCl)c(Br)c1.
What is the InChIKey of 2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene?
The InChIKey is LTHOWRJTNDLDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrClO2/c1-17-11-6-7-14(12(15)8-11)18-13-5-3-2-4-10(13)9-16/h2-8H,9H2,1H3.
What are the key properties of 2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene?
2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene has a molecular weight of 327.61 g/mol, XLogP of 4.99, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-[2-(chloromethyl)phenoxy]-4-methoxybenzene is sourced from PubChem (CID 104708026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).