2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene

C15H20BrClO — CID 55252184

IUPAC2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene
SMILESCCC1CCCCC1Oc1ccc(CCl)cc1Br
InChIInChI=1S/C15H20BrClO/c1-2-12-5-3-4-6-14(12)18-15-8-7-11(10-17)9-13(15)16/h7-9,12,14H,2-6,10H2,1H3
InChIKeyBHTGGJKKESCXGX-UHFFFAOYSA-N
MW331.68 g/mol
LogP5.54
Rot. Bonds4

About 2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene

2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene (PubChem CID 55252184) has the molecular formula C15H20BrClO and a molecular weight of 331.68 g/mol. Its IUPAC name is 2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene.

Molecular Properties

Compound Name2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene
PubChem CID55252184
Molecular FormulaC15H20BrClO
Molecular Weight331.68 g/mol
Exact Mass330.04
IUPAC Name2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene
SMILESCCC1CCCCC1Oc1ccc(CCl)cc1Br
InChIInChI=1S/C15H20BrClO/c1-2-12-5-3-4-6-14(12)18-15-8-7-11(10-17)9-13(15)16/h7-9,12,14H,2-6,10H2,1H3
InChIKeyBHTGGJKKESCXGX-UHFFFAOYSA-N
XLogP5.54
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 ≤ 55.54
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

4-(chloromethyl)-2-ethoxy-1-(2-ethylcyclohexyl)oxybenzene
CID 63863238
1-[3-bromo-4-(2-ethylcyclohexyl)oxyphenyl]propan-2-amine
CID 63863292
1-bromo-5-(chloromethyl)-3-ethoxy-2-(2-ethylcyclohexyl)oxybenzene
CID 63862164
4-(chloromethyl)-2-(2-ethylcyclohexyl)oxy-1-nitrobenzene
CID 63862690
5-chloro-2-(2-ethylcyclohexyl)oxybenzoic acid
CID 63460526
[3,5-dibromo-4-(2-ethylcyclohexyl)oxyphenyl]methanamine
CID 107741276
5-(chloromethyl)-4-(2-ethylcyclohexyl)oxy-2-methylpyridine
CID 81234870
1-ethyl-4-(2-ethylcyclohexyl)oxybenzene
CID 64764923
2-[2-bromo-4-(hydroxymethyl)phenoxy]cyclopentan-1-ol
CID 63050614
1-[5-bromo-2-(2-ethylcyclohexyl)oxyphenyl]ethanamine
CID 63863014
4-(2-ethylcyclohexyl)oxy-3-methylbenzenesulfonyl chloride
CID 63863945
2-(chloromethyl)-4-(2-ethylcyclohexyl)oxyquinoline
CID 63446436

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene?
The IUPAC name of 2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene (CID 55252184) is 2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene.
What is the SMILES notation for 2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene?
The canonical SMILES for 2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene is CCC1CCCCC1Oc1ccc(CCl)cc1Br.
What is the InChIKey of 2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene?
The InChIKey is BHTGGJKKESCXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrClO/c1-2-12-5-3-4-6-14(12)18-15-8-7-11(10-17)9-13(15)16/h7-9,12,14H,2-6,10H2,1H3.
What are the key properties of 2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene?
2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene has a molecular weight of 331.68 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(chloromethyl)-1-(2-ethylcyclohexyl)oxybenzene is sourced from PubChem (CID 55252184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).