1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene

C15H19Br2ClO — CID 114191448

IUPAC1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene
SMILESClCc1cc(Br)c(OCCC2CCCCC2)c(Br)c1
InChIInChI=1S/C15H19Br2ClO/c16-13-8-12(10-18)9-14(17)15(13)19-7-6-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2
InChIKeyUHQPHKFMMONZJJ-UHFFFAOYSA-N
MW410.58 g/mol
LogP6.30
Rot. Bonds5

About 1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene

1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene (PubChem CID 114191448) has the molecular formula C15H19Br2ClO and a molecular weight of 410.58 g/mol. Its IUPAC name is 1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene.

Molecular Properties

Compound Name1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene
PubChem CID114191448
Molecular FormulaC15H19Br2ClO
Molecular Weight410.58 g/mol
Exact Mass407.95
IUPAC Name1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene
SMILESClCc1cc(Br)c(OCCC2CCCCC2)c(Br)c1
InChIInChI=1S/C15H19Br2ClO/c16-13-8-12(10-18)9-14(17)15(13)19-7-6-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2
InChIKeyUHQPHKFMMONZJJ-UHFFFAOYSA-N
XLogP6.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.58
LogP ≤ 56.30
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-bromo-5-(chloromethyl)-2-(cyclohexylmethoxy)-3-methoxybenzene
CID 43622731
1,3-dibromo-5-(chloromethyl)-2-(3,3-dimethylbutoxy)benzene
CID 107745345
1-(chloromethyl)-2-(2-cyclohexylethoxy)-3-methoxybenzene
CID 114191426
[3,5-dibromo-4-(cyclobutylmethoxy)phenyl]methanol
CID 107738957
4-(chloromethyl)-2-(2-cyclobutylethoxy)-6-methylpyridine
CID 106203574
2-(chloromethyl)-1-(2-cyclohexylethoxy)-4-fluorobenzene
CID 114191447
5-bromo-2-(2-cyclohexylethoxy)pyrimidine
CID 138986725
[3,5-dichloro-2-(2-cyclohexylethoxy)phenyl]methanamine
CID 54793716
5-(chloromethyl)-2-(2-cyclobutylethoxy)pyridine
CID 106203581
1-bromo-5-(chloromethyl)-3-ethoxy-2-(2-ethylcyclohexyl)oxybenzene
CID 63862164
1-[4-(aminomethyl)-2,6-dibromophenoxy]-3-cyclopentylpropan-2-ol
CID 107741315
4-[2,6-dibromo-4-(chloromethyl)phenoxy]oxane
CID 107745321

Frequently Asked Questions

What is the IUPAC name of 1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene?
The IUPAC name of 1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene (CID 114191448) is 1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene.
What is the SMILES notation for 1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene?
The canonical SMILES for 1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene is ClCc1cc(Br)c(OCCC2CCCCC2)c(Br)c1.
What is the InChIKey of 1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene?
The InChIKey is UHQPHKFMMONZJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Br2ClO/c16-13-8-12(10-18)9-14(17)15(13)19-7-6-11-4-2-1-3-5-11/h8-9,11H,1-7,10H2.
What are the key properties of 1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene?
1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene has a molecular weight of 410.58 g/mol, XLogP of 6.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibromo-5-(chloromethyl)-2-(2-cyclohexylethoxy)benzene is sourced from PubChem (CID 114191448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).