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

C12H14BrClO — CID 82094244

IUPAC2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
SMILESCOc1ccc(C(CCl)C2CC2)cc1Br
InChIInChI=1S/C12H14BrClO/c1-15-12-5-4-9(6-11(12)13)10(7-14)8-2-3-8/h4-6,8,10H,2-3,7H2,1H3
InChIKeyHYYGGWGQRNGWEI-UHFFFAOYSA-N
MW289.60 g/mol
LogP4.19
Rot. Bonds4

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

2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene (PubChem CID 82094244) has the molecular formula C12H14BrClO and a molecular weight of 289.60 g/mol. Its IUPAC name is 2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene.

Molecular Properties

Compound Name2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
PubChem CID82094244
Molecular FormulaC12H14BrClO
Molecular Weight289.60 g/mol
Exact Mass287.99
IUPAC Name2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
SMILESCOc1ccc(C(CCl)C2CC2)cc1Br
InChIInChI=1S/C12H14BrClO/c1-15-12-5-4-9(6-11(12)13)10(7-14)8-2-3-8/h4-6,8,10H,2-3,7H2,1H3
InChIKeyHYYGGWGQRNGWEI-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'}

Analyze 2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-bromo-4-methoxyphenyl)-2-cyclopropylethanamine
CID 82093055
4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
CID 82094246
(3-bromo-4-methoxyphenyl)-(4-methylcyclohexyl)methanol
CID 64749368
[bromo-(3-bromo-4-methoxyphenyl)methyl]cycloheptane
CID 63435662
(S)-(3-bromo-4-methoxyphenyl)-cyclohexylmethanamine
CID 29010450
2-(3-chloro-4-methoxyphenyl)-2-cyclopropylethanol
CID 82081026
1-(3-bromo-4-methoxyphenyl)-N-(thian-4-ylmethyl)ethanamine
CID 115719847
(3-bromo-4-methoxyphenyl)-(4-butylcyclohexyl)methanol
CID 63428449
N-[(3-bromo-4-methoxyphenyl)-cyclooctylmethyl]ethanamine
CID 65018549
(3-bromo-4-methoxyphenyl)-piperidin-4-ylmethanamine
CID 82308332
[(3-bromo-4-methoxyphenyl)-(3,5-dimethylcyclohexyl)methyl]hydrazine
CID 105312262
(1R)-N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1-cyclopentylethanamine
CID 81393845

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene?
The IUPAC name of 2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene (CID 82094244) is 2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene.
What is the SMILES notation for 2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene?
The canonical SMILES for 2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene is COc1ccc(C(CCl)C2CC2)cc1Br.
What is the InChIKey of 2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene?
The InChIKey is HYYGGWGQRNGWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrClO/c1-15-12-5-4-9(6-11(12)13)10(7-14)8-2-3-8/h4-6,8,10H,2-3,7H2,1H3.
What are the key properties of 2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene?
2-bromo-4-(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 2-bromo-4-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene is sourced from PubChem (CID 82094244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).