1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene

C16H16BrClO3 — CID 102256089

IUPAC1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene
SMILESCOc1cc(CBr)c(OC)c(COc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16BrClO3/c1-19-15-7-11(9-17)16(20-2)12(8-15)10-21-14-5-3-13(18)4-6-14/h3-8H,9-10H2,1-2H3
InChIKeySWCIBPJSUCKNQL-UHFFFAOYSA-N
MW371.66 g/mol
LogP4.83
Rot. Bonds6

About 1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene

1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene (PubChem CID 102256089) has the molecular formula C16H16BrClO3 and a molecular weight of 371.66 g/mol. Its IUPAC name is 1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene
PubChem CID102256089
Molecular FormulaC16H16BrClO3
Molecular Weight371.66 g/mol
Exact Mass370.00
IUPAC Name1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene
SMILESCOc1cc(CBr)c(OC)c(COc2ccc(Cl)cc2)c1
InChIInChI=1S/C16H16BrClO3/c1-19-15-7-11(9-17)16(20-2)12(8-15)10-21-14-5-3-13(18)4-6-14/h3-8H,9-10H2,1-2H3
InChIKeySWCIBPJSUCKNQL-UHFFFAOYSA-N
XLogP4.83
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.66
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(bromomethyl)-1-[(2,5-dichlorophenyl)methoxy]-4-methoxybenzene
CID 65317020
1-(bromomethyl)-2-[(4-chlorophenyl)methoxy]-4-methoxybenzene
CID 63534195
5-chloro-2-[(4-methoxyphenoxy)methyl]phenol
CID 117221271
1-(4-chlorophenyl)-4-methoxy-2-[(4-phenylphenoxy)methyl]benzene
CID 174433994
1-bromo-4-chloro-2-[(4-chlorophenoxy)methyl]benzene
CID 134102081
1-(bromomethyl)-5-chloro-3-fluoro-2-methoxybenzene
CID 131593007
1-(4-chlorophenyl)-2-[(4-ethynylphenoxy)methyl]-4-methoxybenzene
CID 141026509
5-chloro-3-[(4-methoxyphenoxy)methyl]-1-benzofuran
CID 117174314
1,4-dichloro-2-[(4-chlorophenoxy)methyl]benzene
CID 65317932
5-[(3,5-dichloro-2-methoxyphenyl)methoxy]-2-fluoroaniline
CID 58021946
1-(bromomethyl)-2-chloro-5-methoxy-3-methylbenzene
CID 22965884
3-[(5-chloro-2-fluorophenyl)methoxy]-5-methoxybenzonitrile
CID 103566909

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene?
The IUPAC name of 1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene (CID 102256089) is 1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene?
The canonical SMILES for 1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene is COc1cc(CBr)c(OC)c(COc2ccc(Cl)cc2)c1.
What is the InChIKey of 1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene?
The InChIKey is SWCIBPJSUCKNQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrClO3/c1-19-15-7-11(9-17)16(20-2)12(8-15)10-21-14-5-3-13(18)4-6-14/h3-8H,9-10H2,1-2H3.
What are the key properties of 1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene?
1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene has a molecular weight of 371.66 g/mol, XLogP of 4.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3-[(4-chlorophenoxy)methyl]-2,5-dimethoxybenzene is sourced from PubChem (CID 102256089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).