1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene

C13H19BrO3 — CID 43472455

IUPAC1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene
SMILESCCCOc1ccc(CBr)c(OCCOC)c1
InChIInChI=1S/C13H19BrO3/c1-3-6-16-12-5-4-11(10-14)13(9-12)17-8-7-15-2/h4-5,9H,3,6-8,10H2,1-2H3
InChIKeyMGCOEQUYRBUEFO-UHFFFAOYSA-N
MW303.20 g/mol
LogP3.40
Rot. Bonds8

About 1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene

1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene (PubChem CID 43472455) has the molecular formula C13H19BrO3 and a molecular weight of 303.20 g/mol. Its IUPAC name is 1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene.

Molecular Properties

Compound Name1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene
PubChem CID43472455
Molecular FormulaC13H19BrO3
Molecular Weight303.20 g/mol
Exact Mass302.05
IUPAC Name1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene
SMILESCCCOc1ccc(CBr)c(OCCOC)c1
InChIInChI=1S/C13H19BrO3/c1-3-6-16-12-5-4-11(10-14)13(9-12)17-8-7-15-2/h4-5,9H,3,6-8,10H2,1-2H3
InChIKeyMGCOEQUYRBUEFO-UHFFFAOYSA-N
XLogP3.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 53.40
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-[2-(2-methoxyethoxy)-4-propoxyphenyl]propan-2-amine
CID 60906244
1-(bromomethyl)-4-propoxy-2-(2-propylsulfonylethoxy)benzene
CID 106726532
1-(bromomethyl)-4-ethyl-2-(2-methoxyethoxy)benzene
CID 18941608
1-(bromomethyl)-2-(2-ethoxyethoxy)-4-methoxybenzene
CID 61267808
1-(bromomethyl)-2-cyclopentyloxy-4-propoxybenzene
CID 43472484
N-[[2-(3-methoxypropoxy)-4-propoxyphenyl]methyl]propan-2-amine
CID 60925622
2-[2-[2-(bromomethyl)-5-propoxyphenoxy]ethyl]-1-methylimidazole
CID 114528438
(2-butoxy-4-propoxyphenyl)methanamine
CID 43472095
methyl 3-(2,4-dipropoxyphenyl)propanoate
CID 82551369
1-(bromomethyl)-2-(3,5-dimethylcyclohexyl)oxy-4-propoxybenzene
CID 64737684
1-(bromomethyl)-4-methoxy-2-(3-methylbutoxy)benzene
CID 61269278
1-(bromomethyl)-2-(2-fluoroethoxy)-4-methoxybenzene
CID 80694443

Frequently Asked Questions

What is the IUPAC name of 1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene?
The IUPAC name of 1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene (CID 43472455) is 1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene.
What is the SMILES notation for 1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene?
The canonical SMILES for 1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene is CCCOc1ccc(CBr)c(OCCOC)c1.
What is the InChIKey of 1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene?
The InChIKey is MGCOEQUYRBUEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrO3/c1-3-6-16-12-5-4-11(10-14)13(9-12)17-8-7-15-2/h4-5,9H,3,6-8,10H2,1-2H3.
What are the key properties of 1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene?
1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene has a molecular weight of 303.20 g/mol, XLogP of 3.40, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(bromomethyl)-2-(2-methoxyethoxy)-4-propoxybenzene is sourced from PubChem (CID 43472455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).