1-(3-bromopropoxy)-3,5-dimethoxybenzene

C11H15BrO3 — CID 12959383

IUPAC1-(3-bromopropoxy)-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(OCCCBr)c1
InChIInChI=1S/C11H15BrO3/c1-13-9-6-10(14-2)8-11(7-9)15-5-3-4-12/h6-8H,3-5H2,1-2H3
InChIKeyDGWBWOKDQKZWKZ-UHFFFAOYSA-N
MW275.14 g/mol
LogP2.87
Rot. Bonds6

About 1-(3-bromopropoxy)-3,5-dimethoxybenzene

1-(3-bromopropoxy)-3,5-dimethoxybenzene (PubChem CID 12959383) has the molecular formula C11H15BrO3 and a molecular weight of 275.14 g/mol. Its IUPAC name is 1-(3-bromopropoxy)-3,5-dimethoxybenzene.

Molecular Properties

Compound Name1-(3-bromopropoxy)-3,5-dimethoxybenzene
PubChem CID12959383
Molecular FormulaC11H15BrO3
Molecular Weight275.14 g/mol
Exact Mass274.02
IUPAC Name1-(3-bromopropoxy)-3,5-dimethoxybenzene
SMILESCOc1cc(OC)cc(OCCCBr)c1
InChIInChI=1S/C11H15BrO3/c1-13-9-6-10(14-2)8-11(7-9)15-5-3-4-12/h6-8H,3-5H2,1-2H3
InChIKeyDGWBWOKDQKZWKZ-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

2-(3,5-dimethoxyphenoxy)ethanethiol;ethane
CID 144886217
1-(20-bromoicosoxy)-4-methoxybenzene
CID 15444591
1-(3-bromopropoxy)-2,4-dimethoxybenzene
CID 119089808
[4-(3-bromopropoxy)phenyl]-(4-methoxyphenyl)diazene
CID 86177503
1-butoxy-3-methoxy-5-methylbenzene
CID 118268625
5-(3,5-dimethoxyphenoxy)pentan-2-amine
CID 55137875
5-(3,5-dimethoxyphenoxy)pentanenitrile
CID 55025373
4-(3,5-dimethoxyphenoxy)butanoic acid
CID 43351586
1-(2-bromoethyl)-3,5-dimethoxybenzene
CID 12560827
1,3-dimethoxy-5-(2-propan-2-yloxyethoxy)benzene
CID 89483792
1-methoxy-3-(2-methoxyethoxy)-5-methylbenzene
CID 59177626
[3-(3-fluoropropoxy)-5-methoxyphenyl]methanamine
CID 103566053

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromopropoxy)-3,5-dimethoxybenzene?
The IUPAC name of 1-(3-bromopropoxy)-3,5-dimethoxybenzene (CID 12959383) is 1-(3-bromopropoxy)-3,5-dimethoxybenzene.
What is the SMILES notation for 1-(3-bromopropoxy)-3,5-dimethoxybenzene?
The canonical SMILES for 1-(3-bromopropoxy)-3,5-dimethoxybenzene is COc1cc(OC)cc(OCCCBr)c1.
What is the InChIKey of 1-(3-bromopropoxy)-3,5-dimethoxybenzene?
The InChIKey is DGWBWOKDQKZWKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO3/c1-13-9-6-10(14-2)8-11(7-9)15-5-3-4-12/h6-8H,3-5H2,1-2H3.
What are the key properties of 1-(3-bromopropoxy)-3,5-dimethoxybenzene?
1-(3-bromopropoxy)-3,5-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)-3,5-dimethoxybenzene is sourced from PubChem (CID 12959383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).