1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene

C14H19BrO — CID 82094018

IUPAC1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene
SMILESCOc1cc(C)c(C)cc1C(CBr)C1CC1
InChIInChI=1S/C14H19BrO/c1-9-6-12(13(8-15)11-4-5-11)14(16-3)7-10(9)2/h6-7,11,13H,4-5,8H2,1-3H3
InChIKeyUQCPWMVOVMHOIB-UHFFFAOYSA-N
MW283.21 g/mol
LogP4.20
Rot. Bonds4

About 1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene

1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene (PubChem CID 82094018) has the molecular formula C14H19BrO and a molecular weight of 283.21 g/mol. Its IUPAC name is 1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene.

Molecular Properties

Compound Name1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene
PubChem CID82094018
Molecular FormulaC14H19BrO
Molecular Weight283.21 g/mol
Exact Mass282.06
IUPAC Name1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene
SMILESCOc1cc(C)c(C)cc1C(CBr)C1CC1
InChIInChI=1S/C14H19BrO/c1-9-6-12(13(8-15)11-4-5-11)14(16-3)7-10(9)2/h6-7,11,13H,4-5,8H2,1-3H3
InChIKeyUQCPWMVOVMHOIB-UHFFFAOYSA-N
XLogP4.20
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.21
LogP ≤ 54.20
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

3-cyclopropyl-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117383658
2-(2-methoxy-4,5-dimethylphenyl)-2-(3-methylcyclohexyl)ethanamine
CID 83974856
3-(2-bromo-1-cyclopropylethyl)-1,2,4,5-tetramethylbenzene
CID 82093929
4-cycloheptyl-4-(2,5-dimethoxy-4-methylphenyl)butanal
CID 57157289
5-(2-carboxy-1-cyclopropylethyl)-2,4-dimethoxybenzoic acid
CID 117474720
4-bromo-2-(2-chloro-1-cyclopropylethyl)-1-methoxybenzene
CID 82094246
3-cyclopropyl-3-(2,5-dimethoxy-4-propan-2-ylphenyl)propanoic acid
CID 117472178
(2-methoxy-4,5-dimethylphenyl)-piperidin-4-ylmethanamine
CID 82296681
2-cyclopropyl-2-(2,4,5-trimethylphenyl)ethanamine
CID 82282694
amino-(2-methoxy-4,5-dimethylphenyl)methanethiol
CID 116939456
2-cyclopentyl-2-(2-methoxy-4,5-dimethylphenyl)acetic acid
CID 82485629
2-(5-chloro-4-methoxy-2-methylphenyl)-2-cyclopentylethanamine
CID 82304977

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene?
The IUPAC name of 1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene (CID 82094018) is 1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene.
What is the SMILES notation for 1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene?
The canonical SMILES for 1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene is COc1cc(C)c(C)cc1C(CBr)C1CC1.
What is the InChIKey of 1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene?
The InChIKey is UQCPWMVOVMHOIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrO/c1-9-6-12(13(8-15)11-4-5-11)14(16-3)7-10(9)2/h6-7,11,13H,4-5,8H2,1-3H3.
What are the key properties of 1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene?
1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene has a molecular weight of 283.21 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-1-cyclopropylethyl)-2-methoxy-4,5-dimethylbenzene is sourced from PubChem (CID 82094018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).