1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene

C14H19BrCl2O — CID 114200333

IUPAC1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene
SMILESCC(C)CC(C)COc1c(Cl)cc(Cl)cc1CBr
InChIInChI=1S/C14H19BrCl2O/c1-9(2)4-10(3)8-18-14-11(7-15)5-12(16)6-13(14)17/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyOGSZPZMCSRCZPX-UHFFFAOYSA-N
MW354.12 g/mol
LogP5.95
Rot. Bonds6

About 1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene

1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene (PubChem CID 114200333) has the molecular formula C14H19BrCl2O and a molecular weight of 354.12 g/mol. Its IUPAC name is 1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene.

Molecular Properties

Compound Name1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene
PubChem CID114200333
Molecular FormulaC14H19BrCl2O
Molecular Weight354.12 g/mol
Exact Mass352.00
IUPAC Name1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene
SMILESCC(C)CC(C)COc1c(Cl)cc(Cl)cc1CBr
InChIInChI=1S/C14H19BrCl2O/c1-9(2)4-10(3)8-18-14-11(7-15)5-12(16)6-13(14)17/h5-6,9-10H,4,7-8H2,1-3H3
InChIKeyOGSZPZMCSRCZPX-UHFFFAOYSA-N
XLogP5.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.12
LogP ≤ 55.95
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

[3,5-dichloro-2-(2-methylbutoxy)phenyl]methanamine
CID 62104008
2-[2-(bromomethyl)-4,6-dichlorophenoxy]acetonitrile
CID 22241513
5-bromo-1-(bromomethyl)-2-(2,4-dimethylpentoxy)-3-methylbenzene
CID 114200337
1-[2,4-dichloro-6-(hydroxymethyl)phenoxy]propan-2-ol
CID 60884982
1-[3,5-dichloro-2-(2-methylpentoxy)phenyl]propan-2-amine
CID 63421886
1-(bromomethyl)-3,5-dichloro-2-[(4-ethylphenyl)methoxy]benzene
CID 63535878
1-(bromomethyl)-3,5-dichloro-2-(cyclobutylmethoxy)benzene
CID 65458771
1-(bromomethyl)-3,5-dichloro-2-(4,4,4-trifluorobutoxy)benzene
CID 115514411
1-(bromomethyl)-3,5-dichloro-2-[(2,3-dichlorophenyl)methoxy]benzene
CID 107306917
1-(bromomethyl)-3,5-dichloro-2-(2-phenylethoxy)benzene
CID 43516371
1-[2,4-dichloro-6-[(propan-2-ylamino)methyl]phenoxy]propan-2-ol
CID 60889829
[3,5-dichloro-2-(3-methylbutoxy)phenyl]methanol
CID 43516162

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene?
The IUPAC name of 1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene (CID 114200333) is 1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene.
What is the SMILES notation for 1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene?
The canonical SMILES for 1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene is CC(C)CC(C)COc1c(Cl)cc(Cl)cc1CBr.
What is the InChIKey of 1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene?
The InChIKey is OGSZPZMCSRCZPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrCl2O/c1-9(2)4-10(3)8-18-14-11(7-15)5-12(16)6-13(14)17/h5-6,9-10H,4,7-8H2,1-3H3.
What are the key properties of 1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene?
1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene has a molecular weight of 354.12 g/mol, XLogP of 5.95, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-3,5-dichloro-2-(2,4-dimethylpentoxy)benzene is sourced from PubChem (CID 114200333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).