1-(3-bromopropoxy)-2,4-dimethoxybenzene

C11H15BrO3 — CID 119089808

IUPAC1-(3-bromopropoxy)-2,4-dimethoxybenzene
SMILESCOc1ccc(OCCCBr)c(OC)c1
InChIInChI=1S/C11H15BrO3/c1-13-9-4-5-10(11(8-9)14-2)15-7-3-6-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeySNWNWCQDSKNALP-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.87
Rot. Bonds6

About 1-(3-bromopropoxy)-2,4-dimethoxybenzene

1-(3-bromopropoxy)-2,4-dimethoxybenzene (PubChem CID 119089808) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 1-(3-bromopropoxy)-2,4-dimethoxybenzene.

Molecular Properties

Compound Name1-(3-bromopropoxy)-2,4-dimethoxybenzene
PubChem CID119089808
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name1-(3-bromopropoxy)-2,4-dimethoxybenzene
SMILESCOc1ccc(OCCCBr)c(OC)c1
InChIInChI=1S/C11H15BrO3/c1-13-9-4-5-10(11(8-9)14-2)15-7-3-6-12/h4-5,8H,3,6-7H2,1-2H3
InChIKeySNWNWCQDSKNALP-UHFFFAOYSA-N
XLogP2.87
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.14
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromopropoxy)-2-tert-butyl-4-methoxybenzene
CID 43135423
2-(2,4-dimethoxyphenoxy)ethylhydrazine
CID 3053305
1,4-dimethoxy-2-(2-methoxyethoxy)benzene
CID 132577892
1-[4-(3-bromopropoxy)-3-methoxyphenyl]propan-2-one
CID 57102976
1-(3-bromopropoxy)-3,5-dimethoxybenzene
CID 12959383
4-(bromomethyl)-1-butoxy-2-methoxybenzene
CID 43141728
4-(9-bromononoxy)-3-methoxybenzonitrile
CID 105343210
methyl 2-[4-(4-bromobutoxy)-3-methoxyphenyl]-2-oxoacetate
CID 101120929
1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
4-methoxy-2-(3-methoxypropoxy)-1-methylbenzene
CID 59177328
5-methoxy-2-[2-(2-methoxy-4-methylphenoxy)ethoxy]aniline
CID 39427298
1-butoxy-4-(2,2-dibromoethenyl)-2-methoxybenzene
CID 129181829

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropoxy)-2,4-dimethoxybenzene?
The IUPAC name of 1-(3-bromopropoxy)-2,4-dimethoxybenzene (CID 119089808) is 1-(3-bromopropoxy)-2,4-dimethoxybenzene.
What is the SMILES notation for 1-(3-bromopropoxy)-2,4-dimethoxybenzene?
The canonical SMILES for 1-(3-bromopropoxy)-2,4-dimethoxybenzene is COc1ccc(OCCCBr)c(OC)c1.
What is the InChIKey of 1-(3-bromopropoxy)-2,4-dimethoxybenzene?
The InChIKey is SNWNWCQDSKNALP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-13-9-4-5-10(11(8-9)14-2)15-7-3-6-12/h4-5,8H,3,6-7H2,1-2H3.
What are the key properties of 1-(3-bromopropoxy)-2,4-dimethoxybenzene?
1-(3-bromopropoxy)-2,4-dimethoxybenzene has a molecular weight of 275.14 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromopropoxy)-2,4-dimethoxybenzene is sourced from PubChem (CID 119089808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).