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

C15H20BrClO — CID 64748536

IUPAC4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene
SMILESCCC1CCC(Oc2ccc(CBr)cc2Cl)CC1
InChIInChI=1S/C15H20BrClO/c1-2-11-3-6-13(7-4-11)18-15-8-5-12(10-16)9-14(15)17/h5,8-9,11,13H,2-4,6-7,10H2,1H3
InChIKeyWRXYIYVPKOFLRU-UHFFFAOYSA-N
MW331.68 g/mol
LogP5.58
Rot. Bonds4

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

4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene (PubChem CID 64748536) has the molecular formula C15H20BrClO and a molecular weight of 331.68 g/mol. Its IUPAC name is 4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene
PubChem CID64748536
Molecular FormulaC15H20BrClO
Molecular Weight331.68 g/mol
Exact Mass330.04
IUPAC Name4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene
SMILESCCC1CCC(Oc2ccc(CBr)cc2Cl)CC1
InChIInChI=1S/C15H20BrClO/c1-2-11-3-6-13(7-4-11)18-15-8-5-12(10-16)9-14(15)17/h5,8-9,11,13H,2-4,6-7,10H2,1H3
InChIKeyWRXYIYVPKOFLRU-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

N-[[3-chloro-4-(4-ethylcyclohexyl)oxyphenyl]methyl]cyclopropanamine
CID 64748077
2-(bromomethyl)-4-chloro-1-(4-ethylcyclohexyl)oxybenzene
CID 64748532
4-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-1-nitrobenzene
CID 64748736
3-chloro-4-(4-ethylcyclohexyl)oxybenzenesulfonamide
CID 64748145
4-(chloromethyl)-2-(4-ethylcyclohexyl)oxy-1-methoxybenzene
CID 64749126
2-chloro-1-cyclopropyloxy-4-(isocyanatomethyl)benzene
CID 117321037
4-(bromomethyl)-2-ethoxy-1-(4-methylcyclohexyl)oxybenzene
CID 64747736
N-[[3-bromo-4-(4-ethylcyclohexyl)oxyphenyl]methyl]propan-1-amine
CID 64750225
1-(bromomethyl)-2-(4-ethylcyclohexyl)oxynaphthalene
CID 64750095
1-(bromomethyl)-2-(4-ethylcyclohexyl)oxy-4-methoxybenzene
CID 64747945
2-bromo-4-(bromomethyl)-1-cyclohexyloxybenzene
CID 63535060
N-[(3-chloro-4-cyclohexyloxyphenyl)methyl]propan-1-amine
CID 63499759

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene?
The IUPAC name of 4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene (CID 64748536) is 4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene.
What is the SMILES notation for 4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene?
The canonical SMILES for 4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene is CCC1CCC(Oc2ccc(CBr)cc2Cl)CC1.
What is the InChIKey of 4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene?
The InChIKey is WRXYIYVPKOFLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClO/c1-2-11-3-6-13(7-4-11)18-15-8-5-12(10-16)9-14(15)17/h5,8-9,11,13H,2-4,6-7,10H2,1H3.
What are the key properties of 4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene?
4-(bromomethyl)-2-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 4-(bromomethyl)-2-chloro-1-(4-ethylcyclohexyl)oxybenzene is sourced from PubChem (CID 64748536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).