4-(bromomethyl)-2-chloro-1-methoxybenzene

C8H8BrClO — CID 11470370

IUPAC4-(bromomethyl)-2-chloro-1-methoxybenzene
SMILESCOc1ccc(CBr)cc1Cl
InChIInChI=1S/C8H8BrClO/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,5H2,1H3
InChIKeyBDYJMOYDXJQHFS-UHFFFAOYSA-N
MW235.51 g/mol
LogP3.24
Rot. Bonds2

About 4-(bromomethyl)-2-chloro-1-methoxybenzene

4-(bromomethyl)-2-chloro-1-methoxybenzene (PubChem CID 11470370) has the molecular formula C8H8BrClO and a molecular weight of 235.51 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-1-methoxybenzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-1-methoxybenzene
PubChem CID11470370
Molecular FormulaC8H8BrClO
Molecular Weight235.51 g/mol
Exact Mass233.94
IUPAC Name4-(bromomethyl)-2-chloro-1-methoxybenzene
SMILESCOc1ccc(CBr)cc1Cl
InChIInChI=1S/C8H8BrClO/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,5H2,1H3
InChIKeyBDYJMOYDXJQHFS-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.51
LogP ≤ 53.24
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

1-Chloro-2-methoxy-4-methylbenzene
CID 99352
3-Chloro-4-methoxytoluene
CID 140873
1-chloro-3-[(E)-2-(4-methoxyphenyl)ethenyl]benzene
CID 6110518
3-Chloro-4-methoxybenzonitrile
CID 4323105
(3-Chloro-4-methoxyphenyl)methanol
CID 4312004
2-(Bromomethyl)-4-chloro-1-methoxybenzene
CID 15462812
2-(2-Bromoethoxy)-1-chloro-4-methylbenzene
CID 28065378
4-(Bromomethyl)-2-chloro-1-(trifluoromethoxy)benzene
CID 2773849
3-Chloro-5-fluoro-4-methoxybenzyl bromide
CID 3294781
2-(2-Chloro-4-methylphenoxy)propanenitrile
CID 62669340
2-(3-Chloro-4-methoxyphenyl)acetonitrile
CID 1502001
2-Chloro-6-fluoro-3-methoxybenzyl bromide
CID 3863293

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-1-methoxybenzene?
The IUPAC name of 4-(bromomethyl)-2-chloro-1-methoxybenzene (CID 11470370) is 4-(bromomethyl)-2-chloro-1-methoxybenzene.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-1-methoxybenzene?
The canonical SMILES for 4-(bromomethyl)-2-chloro-1-methoxybenzene is COc1ccc(CBr)cc1Cl.
What is the InChIKey of 4-(bromomethyl)-2-chloro-1-methoxybenzene?
The InChIKey is BDYJMOYDXJQHFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClO/c1-11-8-3-2-6(5-9)4-7(8)10/h2-4H,5H2,1H3.
What are the key properties of 4-(bromomethyl)-2-chloro-1-methoxybenzene?
4-(bromomethyl)-2-chloro-1-methoxybenzene has a molecular weight of 235.51 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-2-chloro-1-methoxybenzene is sourced from PubChem (CID 11470370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).