4-bromo-1-(methoxymethoxy)-2-propylbenzene

C11H15BrO2 — CID 68947055

IUPAC4-bromo-1-(methoxymethoxy)-2-propylbenzene
SMILESCCCc1cc(Br)ccc1OCOC
InChIInChI=1S/C11H15BrO2/c1-3-4-9-7-10(12)5-6-11(9)14-8-13-2/h5-7H,3-4,8H2,1-2H3
InChIKeyBHQAYGQEFBYMEU-UHFFFAOYSA-N
MW259.14 g/mol
LogP3.38
Rot. Bonds5

About 4-bromo-1-(methoxymethoxy)-2-propylbenzene

4-bromo-1-(methoxymethoxy)-2-propylbenzene (PubChem CID 68947055) has the molecular formula C11H15BrO2 and a molecular weight of 259.14 g/mol. Its IUPAC name is 4-bromo-1-(methoxymethoxy)-2-propylbenzene.

Molecular Properties

Compound Name4-bromo-1-(methoxymethoxy)-2-propylbenzene
PubChem CID68947055
Molecular FormulaC11H15BrO2
Molecular Weight259.14 g/mol
Exact Mass258.03
IUPAC Name4-bromo-1-(methoxymethoxy)-2-propylbenzene
SMILESCCCc1cc(Br)ccc1OCOC
InChIInChI=1S/C11H15BrO2/c1-3-4-9-7-10(12)5-6-11(9)14-8-13-2/h5-7H,3-4,8H2,1-2H3
InChIKeyBHQAYGQEFBYMEU-UHFFFAOYSA-N
XLogP3.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.14
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[5-bromo-2-(methoxymethoxy)phenyl]methanol
CID 54142346
2-butyl-4-methoxy-1-(methoxymethoxy)benzene
CID 139851851
4-bromo-2-(methoxymethoxy)aniline
CID 167459517
4-bromo-2-[4-(5-bromo-2-methoxyphenyl)butyl]-1-methoxybenzene
CID 10693794
2-(5-bromo-2-heptoxyphenyl)ethanamine
CID 55199979
(1S)-1-[5-bromo-2-(methoxymethoxy)phenyl]ethanol
CID 79005339
1-[5-bromo-2-(methoxymethoxy)phenyl]ethanamine
CID 65365311
N-[(5-bromo-2-ethoxyphenyl)methyl]-N-ethylethanamine
CID 940103
4-bromo-2-(bromomethyl)-1-(2-methoxyethoxy)benzene
CID 43141619
4-(5-bromo-2-ethoxyphenyl)butan-1-amine
CID 65305852
1-(5-bromo-2-propoxyphenyl)-N-methoxymethanamine
CID 82706232
2-[5-bromo-2-(2-methylpentoxy)phenyl]ethanamine
CID 62264353

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-(methoxymethoxy)-2-propylbenzene?
The IUPAC name of 4-bromo-1-(methoxymethoxy)-2-propylbenzene (CID 68947055) is 4-bromo-1-(methoxymethoxy)-2-propylbenzene.
What is the SMILES notation for 4-bromo-1-(methoxymethoxy)-2-propylbenzene?
The canonical SMILES for 4-bromo-1-(methoxymethoxy)-2-propylbenzene is CCCc1cc(Br)ccc1OCOC.
What is the InChIKey of 4-bromo-1-(methoxymethoxy)-2-propylbenzene?
The InChIKey is BHQAYGQEFBYMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrO2/c1-3-4-9-7-10(12)5-6-11(9)14-8-13-2/h5-7H,3-4,8H2,1-2H3.
What are the key properties of 4-bromo-1-(methoxymethoxy)-2-propylbenzene?
4-bromo-1-(methoxymethoxy)-2-propylbenzene has a molecular weight of 259.14 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-(methoxymethoxy)-2-propylbenzene is sourced from PubChem (CID 68947055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).