2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene

C15H20BrClO — CID 64748532

IUPAC2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene
SMILESCCC1CCC(Oc2ccc(Cl)cc2CBr)CC1
InChIInChI=1S/C15H20BrClO/c1-2-11-3-6-14(7-4-11)18-15-8-5-13(17)9-12(15)10-16/h5,8-9,11,14H,2-4,6-7,10H2,1H3
InChIKeyCBZRCUYBUZUKMZ-UHFFFAOYSA-N
MW331.68 g/mol
LogP5.58
Rot. Bonds4

About 2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene

2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene (PubChem CID 64748532) has the molecular formula C15H20BrClO and a molecular weight of 331.68 g/mol. Its IUPAC name is 2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene
PubChem CID64748532
Molecular FormulaC15H20BrClO
Molecular Weight331.68 g/mol
Exact Mass330.04
IUPAC Name2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene
SMILESCCC1CCC(Oc2ccc(Cl)cc2CBr)CC1
InChIInChI=1S/C15H20BrClO/c1-2-11-3-6-14(7-4-11)18-15-8-5-13(17)9-12(15)10-16/h5,8-9,11,14H,2-4,6-7,10H2,1H3
InChIKeyCBZRCUYBUZUKMZ-UHFFFAOYSA-N
XLogP5.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.68
LogP ≤ 55.58
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

2-(bromomethyl)-4-chloro-1-(3,4-dimethylcyclohexyl)oxybenzene
CID 64740768
4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748536
1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene
CID 64747945
4-chloro-2-(chloromethyl)-1-(4-methylcyclohexyl)oxybenzene
CID 64748332
4-(4-chloro-2-ethylphenoxy)piperidine
CID 22397478
1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene
CID 64750095
N-[[5-chloro-2-(4-methylcyclohexyl)oxyphenyl]methyl]ethanamine
CID 64748066
4-chloro-2-(chloromethyl)-1-cyclopentyloxybenzene
CID 43141955
4-(5-chloro-2-cyclobutyloxyphenyl)butan-1-amine
CID 117387894
1-(5-chloro-2-cycloheptyloxyphenyl)propan-2-amine
CID 82922401
2-(bromomethyl)-4-chloro-1-propoxybenzene
CID 43142008
[2-(4-ethylcyclohexyl)oxyphenyl]methanamine
CID 19627431

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene?
The IUPAC name of 2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene (CID 64748532) is 2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene.
What is the SMILES notation for 2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene?
The canonical SMILES for 2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene is CCC1CCC(Oc2ccc(Cl)cc2CBr)CC1.
What is the InChIKey of 2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene?
The InChIKey is CBZRCUYBUZUKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClO/c1-2-11-3-6-14(7-4-11)18-15-8-5-13(17)9-12(15)10-16/h5,8-9,11,14H,2-4,6-7,10H2,1H3.
What are the key properties of 2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene?
2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene has a molecular weight of 331.68 g/mol, XLogP of 5.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene is sourced from PubChem (CID 64748532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).