1-(1-bromopropyl)-4-methoxy-2-methylbenzene

C11H15BrO — CID 61097886

IUPAC1-(1-bromopropyl)-4-methoxy-2-methylbenzene
SMILESCCC(Br)c1ccc(OC)cc1C
InChIInChI=1S/C11H15BrO/c1-4-11(12)10-6-5-9(13-3)7-8(10)2/h5-7,11H,4H2,1-3H3
InChIKeyWBOJFTFXFMEIEQ-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.85
Rot. Bonds3

About 1-(1-bromopropyl)-4-methoxy-2-methylbenzene

1-(1-bromopropyl)-4-methoxy-2-methylbenzene (PubChem CID 61097886) has the molecular formula C11H15BrO and a molecular weight of 243.14 g/mol. Its IUPAC name is 1-(1-bromopropyl)-4-methoxy-2-methylbenzene.

Molecular Properties

Compound Name1-(1-bromopropyl)-4-methoxy-2-methylbenzene
PubChem CID61097886
Molecular FormulaC11H15BrO
Molecular Weight243.14 g/mol
Exact Mass242.03
IUPAC Name1-(1-bromopropyl)-4-methoxy-2-methylbenzene
SMILESCCC(Br)c1ccc(OC)cc1C
InChIInChI=1S/C11H15BrO/c1-4-11(12)10-6-5-9(13-3)7-8(10)2/h5-7,11H,4H2,1-3H3
InChIKeyWBOJFTFXFMEIEQ-UHFFFAOYSA-N
XLogP3.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.85
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

1-[1-bromo-3-(4-methoxyphenyl)propyl]-4-methoxy-2-methylbenzene
CID 63438363
1-(4-methoxy-2-methylphenyl)propan-1-ol
CID 13147116
(1R)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 168719792
(1S)-1-(4-methoxy-2-methylphenyl)propan-1-amine;hydrochloride
CID 171233415
1-(1-bromopropyl)-4,5-dimethoxy-2-methylbenzene
CID 61097408
(1R,2S)-1-amino-1-(4-methoxy-2-methylphenyl)butan-2-ol
CID 171265166
2-[2-bromo-2-(4-methoxy-2-methylphenyl)ethyl]oxolane
CID 65158018
1-(4-methoxy-2-methylphenyl)butan-1-amine
CID 43198786
1-[bromo-(4-fluoro-3-methoxyphenyl)methyl]-4-methoxy-2-methylbenzene
CID 81284508
N-ethyl-1-(4-methoxy-2-methylphenyl)-2-methylbutan-1-amine
CID 43490085
1-(4-methoxy-2-methylphenyl)-3-methylpentan-1-amine
CID 114874188
1-[bromo-(2-methoxy-5-methylphenyl)methyl]-4-methoxy-2-methylbenzene
CID 63438493

Frequently Asked Questions

What is the IUPAC name of 1-(1-bromopropyl)-4-methoxy-2-methylbenzene?
The IUPAC name of 1-(1-bromopropyl)-4-methoxy-2-methylbenzene (CID 61097886) is 1-(1-bromopropyl)-4-methoxy-2-methylbenzene.
What is the SMILES notation for 1-(1-bromopropyl)-4-methoxy-2-methylbenzene?
The canonical SMILES for 1-(1-bromopropyl)-4-methoxy-2-methylbenzene is CCC(Br)c1ccc(OC)cc1C.
What is the InChIKey of 1-(1-bromopropyl)-4-methoxy-2-methylbenzene?
The InChIKey is WBOJFTFXFMEIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO/c1-4-11(12)10-6-5-9(13-3)7-8(10)2/h5-7,11H,4H2,1-3H3.
What are the key properties of 1-(1-bromopropyl)-4-methoxy-2-methylbenzene?
1-(1-bromopropyl)-4-methoxy-2-methylbenzene has a molecular weight of 243.14 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-bromopropyl)-4-methoxy-2-methylbenzene is sourced from PubChem (CID 61097886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).