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

C9H10BrClO — CID 55207664

IUPAC4-(bromomethyl)-2-chloro-1-ethoxybenzene
SMILESCCOc1ccc(CBr)cc1Cl
InChIInChI=1S/C9H10BrClO/c1-2-12-9-4-3-7(6-10)5-8(9)11/h3-5H,2,6H2,1H3
InChIKeyGEPVISDPSFNIFB-UHFFFAOYSA-N
MW249.53 g/mol
LogP3.63
Rot. Bonds3

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

4-(bromomethyl)-2-chloro-1-ethoxybenzene (PubChem CID 55207664) has the molecular formula C9H10BrClO and a molecular weight of 249.53 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-1-ethoxybenzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-1-ethoxybenzene
PubChem CID55207664
Molecular FormulaC9H10BrClO
Molecular Weight249.53 g/mol
Exact Mass247.96
IUPAC Name4-(bromomethyl)-2-chloro-1-ethoxybenzene
SMILESCCOc1ccc(CBr)cc1Cl
InChIInChI=1S/C9H10BrClO/c1-2-12-9-4-3-7(6-10)5-8(9)11/h3-5H,2,6H2,1H3
InChIKeyGEPVISDPSFNIFB-UHFFFAOYSA-N
XLogP3.63
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.53
LogP ≤ 53.63
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-(2-Bromoethoxy)-2-chlorobenzene
CID 2384207
3-Chloro-4-methoxytoluene
CID 140873
Benzyl o-chlorophenyl ether
CID 6421527
1-(2-Bromoethoxy)-4-chloro-2-methylbenzene
CID 24707923
4-(Bromomethyl)-2-chloro-1-methoxybenzene
CID 11470370
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
3-(2,6-Dichloro-4-methylphenoxy)-1-propanol
CID 21134420
2-(2-Chloro-4-methylphenoxy)propanenitrile
CID 62669340
4-Tert-butyl-2-chloro-1-(2-chloroethoxy)benzene
CID 220308

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-1-ethoxybenzene?
The IUPAC name of 4-(bromomethyl)-2-chloro-1-ethoxybenzene (CID 55207664) is 4-(bromomethyl)-2-chloro-1-ethoxybenzene.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-1-ethoxybenzene?
The canonical SMILES for 4-(bromomethyl)-2-chloro-1-ethoxybenzene is CCOc1ccc(CBr)cc1Cl.
What is the InChIKey of 4-(bromomethyl)-2-chloro-1-ethoxybenzene?
The InChIKey is GEPVISDPSFNIFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClO/c1-2-12-9-4-3-7(6-10)5-8(9)11/h3-5H,2,6H2,1H3.
What are the key properties of 4-(bromomethyl)-2-chloro-1-ethoxybenzene?
4-(bromomethyl)-2-chloro-1-ethoxybenzene has a molecular weight of 249.53 g/mol, XLogP of 3.63, 3 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-ethoxybenzene is sourced from PubChem (CID 55207664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).