4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene

C12H14BrClO — CID 82094246

IUPAC4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1C(CCl)C1CC1
InChIInChI=1S/C12H14BrClO/c1-15-12-5-4-9(13)6-10(12)11(7-14)8-2-3-8/h4-6,8,11H,2-3,7H2,1H3
InChIKeyWQZBENRZCPLVGB-UHFFFAOYSA-N
MW289.60 g/mol
LogP4.19
Rot. Bonds4

About 4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene

4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene (PubChem CID 82094246) has the molecular formula C12H14BrClO and a molecular weight of 289.60 g/mol. Its IUPAC name is 4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene.

Molecular Properties

Compound Name4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
PubChem CID82094246
Molecular FormulaC12H14BrClO
Molecular Weight289.60 g/mol
Exact Mass287.99
IUPAC Name4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
SMILESCOc1ccc(Br)cc1C(CCl)C1CC1
InChIInChI=1S/C12H14BrClO/c1-15-12-5-4-9(13)6-10(12)11(7-14)8-2-3-8/h4-6,8,11H,2-3,7H2,1H3
InChIKeyWQZBENRZCPLVGB-UHFFFAOYSA-N
XLogP4.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.60
LogP ≤ 54.19
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-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
CID 82094244
4-bromo-2-[(4-butylcyclohexyl)-chloromethyl]-1-methoxybenzene
CID 63427364
4-bromo-2-(1-bromo-2-cyclopropylpropyl)-1-methoxybenzene
CID 83148078
4-bromo-2-(1-chloro-2-cyclobutylethyl)-1-methoxybenzene
CID 103165554
(5-bromo-2-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308334
3-[(5-bromo-2-methoxyphenyl)-chloromethyl]oxane
CID 63015273
1-(5-bromo-2-methoxyphenyl)-N-(1-cyclopropylethyl)-N-methylethane-1,2-diamine
CID 43568967
3-[(5-bromo-2-methoxyphenyl)-chloromethyl]tricyclo[3.2.1.02,4]octane
CID 114097119
4-bromo-2-(1-bromo-3-cyclopentylpropyl)-1-methoxybenzene
CID 63435537
N-[(5-bromo-2-methoxyphenyl)-cyclobutylmethyl]propan-1-amine
CID 43493938
(R)-(5-bromo-2-ethoxyphenyl)-cyclopropylmethanamine;hydrochloride
CID 171206516
bromo-(5-bromo-2-methoxyphenyl)methanamine
CID 116947587

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene?
The IUPAC name of 4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene (CID 82094246) is 4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene.
What is the SMILES notation for 4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene?
The canonical SMILES for 4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene is COc1ccc(Br)cc1C(CCl)C1CC1.
What is the InChIKey of 4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene?
The InChIKey is WQZBENRZCPLVGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClO/c1-15-12-5-4-9(13)6-10(12)11(7-14)8-2-3-8/h4-6,8,11H,2-3,7H2,1H3.
What are the key properties of 4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene?
4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene has a molecular weight of 289.60 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene is sourced from PubChem (CID 82094246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).